USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 836 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 59 SER OG : rot -83:sc= 0.104 USER MOD Set 1.2: A 97 THR OG1 : rot 103:sc= 0.66 USER MOD Set 2.1: A 16 ASN : amide:sc= -2.23! K(o=0.086!,f=0.72) USER MOD Set 2.2: A 56 SER OG : rot 75:sc= -0.241 USER MOD Set 2.3: A 58 THR OG1 : rot 65:sc= 1.52 USER MOD Set 2.4: A 79 TYR OH : rot 165:sc= 1.03 USER MOD Set 3.1: A 21 ASN : amide:sc= 0.195 K(o=-0.024,f=-0.53) USER MOD Set 3.2: A 24 THR OG1 : rot -170:sc= 0.0285 USER MOD Set 3.3: A 51 GLN : amide:sc= -0.248 K(o=-0.024,f=-5!) USER MOD Set 4.1: A 20 CYS SG : rot -72:sc= -0.277 USER MOD Set 4.2: A 53 CYS SG : rot 74:sc= 2.2 USER MOD Set 5.1: A 13 GLN : amide:sc= -1.5 K(o=-2.7,f=-0.5) USER MOD Set 5.2: A 15 GLN : amide:sc= -1.25 K(o=-2.7,f=-0.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.0218 (180deg=-0.162) USER MOD Single : A 2 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.433 K(o=0.43,f=-2!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0755 X(o=-0.075,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.87 K(o=-0.87,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.96) USER MOD Single : A 19 THR OG1 : rot -68:sc= 0.348 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0216) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -26:sc= 0.286 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 35 SER OG : rot 87:sc= 0.488 USER MOD Single : A 38 GLN : amide:sc= -0.461 K(o=-0.46,f=-4.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 45 LYS NZ :NH3+ -114:sc= 0.246 (180deg=-0.373) USER MOD Single : A 47 TYR OH : rot 87:sc= 0.153 USER MOD Single : A 49 LYS NZ :NH3+ -115:sc= 1.22 (180deg=-0.227) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc=-0.00758 (180deg=-0.0963) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.0181 (180deg=-0.195) USER MOD Single : A 61 THR OG1 : rot 161:sc= 0.276 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.027) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= 0.611 (180deg=0.328) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0731 (180deg=-0.384) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 88 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.013) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00114 USER MOD Single : A 101 GLN : amide:sc= -0.0993 X(o=-0.099,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.995 -8.592 5.987 1.00 71.11 N ATOM 2 CA MET A 1 -25.284 -7.223 5.490 1.00 54.31 C ATOM 3 C MET A 1 -25.951 -7.303 4.106 1.00 45.31 C ATOM 4 O MET A 1 -25.750 -8.280 3.370 1.00 3.23 O ATOM 5 CB MET A 1 -23.989 -6.370 5.439 1.00 2.03 C ATOM 6 CG MET A 1 -23.291 -6.203 6.793 1.00 62.45 C ATOM 7 SD MET A 1 -21.783 -5.216 6.692 1.00 53.45 S ATOM 8 CE MET A 1 -21.166 -5.336 8.377 1.00 64.51 C ATOM 0 H1 MET A 1 -25.387 -8.704 6.944 1.00 71.11 H new ATOM 0 H2 MET A 1 -25.429 -9.291 5.351 1.00 71.11 H new ATOM 0 H3 MET A 1 -23.966 -8.741 6.014 1.00 71.11 H new ATOM 0 HA MET A 1 -25.971 -6.733 6.180 1.00 54.31 H new ATOM 0 HB2 MET A 1 -23.292 -6.830 4.738 1.00 2.03 H new ATOM 0 HB3 MET A 1 -24.233 -5.383 5.045 1.00 2.03 H new ATOM 0 HG2 MET A 1 -23.980 -5.733 7.495 1.00 62.45 H new ATOM 0 HG3 MET A 1 -23.048 -7.187 7.194 1.00 62.45 H new ATOM 0 HE1 MET A 1 -20.237 -4.773 8.465 1.00 64.51 H new ATOM 0 HE2 MET A 1 -21.905 -4.926 9.065 1.00 64.51 H new ATOM 0 HE3 MET A 1 -20.982 -6.382 8.623 1.00 64.51 H new ATOM 20 N HIS A 2 -26.747 -6.266 3.765 1.00 20.05 N ATOM 21 CA HIS A 2 -27.509 -6.205 2.497 1.00 71.32 C ATOM 22 C HIS A 2 -26.577 -5.899 1.306 1.00 31.32 C ATOM 23 O HIS A 2 -25.939 -4.843 1.271 1.00 10.13 O ATOM 24 CB HIS A 2 -28.648 -5.143 2.605 1.00 13.15 C ATOM 25 CG HIS A 2 -29.775 -5.517 3.549 1.00 20.51 C ATOM 26 ND1 HIS A 2 -31.063 -5.035 3.418 1.00 62.01 N ATOM 27 CD2 HIS A 2 -29.801 -6.324 4.641 1.00 50.25 C ATOM 28 CE1 HIS A 2 -31.818 -5.531 4.380 1.00 13.12 C ATOM 29 NE2 HIS A 2 -31.077 -6.313 5.132 1.00 45.35 N ATOM 0 H HIS A 2 -26.880 -5.448 4.360 1.00 20.05 H new ATOM 0 HA HIS A 2 -27.962 -7.180 2.318 1.00 71.32 H new ATOM 0 HB2 HIS A 2 -28.215 -4.198 2.934 1.00 13.15 H new ATOM 0 HB3 HIS A 2 -29.065 -4.975 1.612 1.00 13.15 H new ATOM 0 HD2 HIS A 2 -28.966 -6.874 5.048 1.00 50.25 H new ATOM 0 HE1 HIS A 2 -32.869 -5.328 4.525 1.00 13.12 H new ATOM 0 HE2 HIS A 2 -31.401 -6.829 5.950 1.00 45.35 H new ATOM 38 N HIS A 3 -26.508 -6.839 0.340 1.00 35.11 N ATOM 39 CA HIS A 3 -25.705 -6.700 -0.885 1.00 13.52 C ATOM 40 C HIS A 3 -26.504 -7.259 -2.087 1.00 61.32 C ATOM 41 O HIS A 3 -26.378 -8.424 -2.474 1.00 43.21 O ATOM 42 CB HIS A 3 -24.299 -7.367 -0.716 1.00 72.23 C ATOM 43 CG HIS A 3 -24.305 -8.846 -0.398 1.00 55.22 C ATOM 44 ND1 HIS A 3 -24.621 -9.351 0.850 1.00 72.41 N ATOM 45 CD2 HIS A 3 -24.025 -9.931 -1.170 1.00 31.31 C ATOM 46 CE1 HIS A 3 -24.537 -10.668 0.824 1.00 24.04 C ATOM 47 NE2 HIS A 3 -24.177 -11.040 -0.386 1.00 11.24 N ATOM 0 H HIS A 3 -27.014 -7.723 0.393 1.00 35.11 H new ATOM 0 HA HIS A 3 -25.509 -5.646 -1.081 1.00 13.52 H new ATOM 0 HB2 HIS A 3 -23.733 -7.215 -1.635 1.00 72.23 H new ATOM 0 HB3 HIS A 3 -23.764 -6.846 0.078 1.00 72.23 H new ATOM 0 HD1 HIS A 3 -24.879 -8.793 1.664 1.00 72.41 H new ATOM 0 HD2 HIS A 3 -23.736 -9.918 -2.211 1.00 31.31 H new ATOM 0 HE1 HIS A 3 -24.731 -11.329 1.656 1.00 24.04 H new ATOM 56 N HIS A 4 -27.416 -6.421 -2.612 1.00 64.35 N ATOM 57 CA HIS A 4 -28.235 -6.740 -3.815 1.00 65.14 C ATOM 58 C HIS A 4 -28.288 -5.534 -4.770 1.00 63.31 C ATOM 59 O HIS A 4 -28.739 -5.661 -5.914 1.00 44.11 O ATOM 60 CB HIS A 4 -29.677 -7.169 -3.407 1.00 31.53 C ATOM 61 CG HIS A 4 -29.761 -8.509 -2.707 1.00 1.04 C ATOM 62 ND1 HIS A 4 -29.953 -9.700 -3.379 1.00 35.50 N ATOM 63 CD2 HIS A 4 -29.686 -8.842 -1.394 1.00 72.31 C ATOM 64 CE1 HIS A 4 -29.976 -10.696 -2.516 1.00 24.14 C ATOM 65 NE2 HIS A 4 -29.820 -10.205 -1.307 1.00 31.34 N ATOM 0 H HIS A 4 -27.613 -5.500 -2.220 1.00 64.35 H new ATOM 0 HA HIS A 4 -27.762 -7.574 -4.333 1.00 65.14 H new ATOM 0 HB2 HIS A 4 -30.098 -6.405 -2.753 1.00 31.53 H new ATOM 0 HB3 HIS A 4 -30.299 -7.201 -4.301 1.00 31.53 H new ATOM 0 HD2 HIS A 4 -29.546 -8.160 -0.569 1.00 72.31 H new ATOM 0 HE1 HIS A 4 -30.102 -11.740 -2.761 1.00 24.14 H new ATOM 0 HE2 HIS A 4 -29.802 -10.749 -0.444 1.00 31.34 H new ATOM 74 N HIS A 5 -27.824 -4.366 -4.286 1.00 74.13 N ATOM 75 CA HIS A 5 -27.769 -3.116 -5.073 1.00 65.45 C ATOM 76 C HIS A 5 -26.302 -2.709 -5.284 1.00 74.45 C ATOM 77 O HIS A 5 -25.387 -3.334 -4.733 1.00 31.31 O ATOM 78 CB HIS A 5 -28.543 -1.976 -4.351 1.00 14.13 C ATOM 79 CG HIS A 5 -29.942 -2.344 -3.915 1.00 53.04 C ATOM 80 ND1 HIS A 5 -30.365 -2.272 -2.603 1.00 1.43 N ATOM 81 CD2 HIS A 5 -31.014 -2.779 -4.621 1.00 23.42 C ATOM 82 CE1 HIS A 5 -31.625 -2.647 -2.529 1.00 40.20 C ATOM 83 NE2 HIS A 5 -32.039 -2.958 -3.732 1.00 50.43 N ATOM 0 H HIS A 5 -27.475 -4.261 -3.333 1.00 74.13 H new ATOM 0 HA HIS A 5 -28.241 -3.287 -6.040 1.00 65.45 H new ATOM 0 HB2 HIS A 5 -27.973 -1.666 -3.475 1.00 14.13 H new ATOM 0 HB3 HIS A 5 -28.599 -1.114 -5.016 1.00 14.13 H new ATOM 0 HD2 HIS A 5 -31.052 -2.952 -5.686 1.00 23.42 H new ATOM 0 HE1 HIS A 5 -32.218 -2.691 -1.627 1.00 40.20 H new ATOM 0 HE2 HIS A 5 -32.977 -3.282 -3.969 1.00 50.43 H new ATOM 92 N HIS A 6 -26.092 -1.652 -6.083 1.00 3.33 N ATOM 93 CA HIS A 6 -24.752 -1.114 -6.371 1.00 2.51 C ATOM 94 C HIS A 6 -24.330 -0.149 -5.254 1.00 13.40 C ATOM 95 O HIS A 6 -24.904 0.936 -5.120 1.00 43.53 O ATOM 96 CB HIS A 6 -24.732 -0.406 -7.753 1.00 65.20 C ATOM 97 CG HIS A 6 -25.074 -1.302 -8.924 1.00 31.43 C ATOM 98 ND1 HIS A 6 -24.202 -1.563 -9.958 1.00 52.12 N ATOM 99 CD2 HIS A 6 -26.214 -1.976 -9.231 1.00 54.11 C ATOM 100 CE1 HIS A 6 -24.789 -2.346 -10.841 1.00 34.03 C ATOM 101 NE2 HIS A 6 -26.005 -2.609 -10.422 1.00 12.14 N ATOM 0 H HIS A 6 -26.845 -1.146 -6.548 1.00 3.33 H new ATOM 0 HA HIS A 6 -24.039 -1.938 -6.409 1.00 2.51 H new ATOM 0 HB2 HIS A 6 -25.436 0.426 -7.731 1.00 65.20 H new ATOM 0 HB3 HIS A 6 -23.741 0.019 -7.915 1.00 65.20 H new ATOM 0 HD2 HIS A 6 -27.118 -2.005 -8.641 1.00 54.11 H new ATOM 0 HE1 HIS A 6 -24.344 -2.710 -11.755 1.00 34.03 H new ATOM 0 HE2 HIS A 6 -26.685 -3.193 -10.909 1.00 12.14 H new ATOM 110 N HIS A 7 -23.337 -0.562 -4.446 1.00 74.51 N ATOM 111 CA HIS A 7 -22.883 0.203 -3.277 1.00 1.40 C ATOM 112 C HIS A 7 -21.357 0.404 -3.316 1.00 50.21 C ATOM 113 O HIS A 7 -20.592 -0.565 -3.243 1.00 12.43 O ATOM 114 CB HIS A 7 -23.309 -0.526 -1.970 1.00 60.53 C ATOM 115 CG HIS A 7 -22.925 0.201 -0.704 1.00 73.00 C ATOM 116 ND1 HIS A 7 -22.137 -0.357 0.282 1.00 51.41 N ATOM 117 CD2 HIS A 7 -23.237 1.444 -0.265 1.00 41.24 C ATOM 118 CE1 HIS A 7 -21.994 0.501 1.268 1.00 31.03 C ATOM 119 NE2 HIS A 7 -22.644 1.601 0.961 1.00 70.12 N ATOM 0 H HIS A 7 -22.829 -1.435 -4.587 1.00 74.51 H new ATOM 0 HA HIS A 7 -23.351 1.187 -3.299 1.00 1.40 H new ATOM 0 HB2 HIS A 7 -24.390 -0.667 -1.981 1.00 60.53 H new ATOM 0 HB3 HIS A 7 -22.858 -1.518 -1.957 1.00 60.53 H new ATOM 0 HD2 HIS A 7 -23.840 2.175 -0.784 1.00 41.24 H new ATOM 0 HE1 HIS A 7 -21.436 0.330 2.177 1.00 31.03 H new ATOM 0 HE2 HIS A 7 -22.699 2.438 1.542 1.00 70.12 H new ATOM 128 N ARG A 8 -20.933 1.674 -3.434 1.00 70.24 N ATOM 129 CA ARG A 8 -19.513 2.078 -3.320 1.00 10.14 C ATOM 130 C ARG A 8 -19.150 2.258 -1.805 1.00 72.42 C ATOM 131 O ARG A 8 -20.019 2.070 -0.940 1.00 30.41 O ATOM 132 CB ARG A 8 -19.286 3.379 -4.162 1.00 73.44 C ATOM 133 CG ARG A 8 -17.803 3.768 -4.377 1.00 12.31 C ATOM 134 CD ARG A 8 -17.589 5.040 -5.219 1.00 35.30 C ATOM 135 NE ARG A 8 -16.172 5.459 -5.161 1.00 23.25 N ATOM 136 CZ ARG A 8 -15.424 5.904 -6.185 1.00 54.02 C ATOM 137 NH1 ARG A 8 -15.929 6.016 -7.420 1.00 50.31 N ATOM 138 NH2 ARG A 8 -14.158 6.245 -5.953 1.00 74.41 N ATOM 0 H ARG A 8 -21.564 2.455 -3.612 1.00 70.24 H new ATOM 0 HA ARG A 8 -18.849 1.312 -3.720 1.00 10.14 H new ATOM 0 HB2 ARG A 8 -19.757 3.250 -5.136 1.00 73.44 H new ATOM 0 HB3 ARG A 8 -19.795 4.207 -3.669 1.00 73.44 H new ATOM 0 HG2 ARG A 8 -17.333 3.909 -3.404 1.00 12.31 H new ATOM 0 HG3 ARG A 8 -17.290 2.937 -4.861 1.00 12.31 H new ATOM 0 HD2 ARG A 8 -17.878 4.853 -6.253 1.00 35.30 H new ATOM 0 HD3 ARG A 8 -18.228 5.842 -4.849 1.00 35.30 H new ATOM 0 HE ARG A 8 -15.716 5.405 -4.250 1.00 23.25 H new ATOM 0 HH11 ARG A 8 -16.900 5.761 -7.599 1.00 50.31 H new ATOM 0 HH12 ARG A 8 -15.342 6.356 -8.182 1.00 50.31 H new ATOM 0 HH21 ARG A 8 -13.773 6.166 -5.012 1.00 74.41 H new ATOM 0 HH22 ARG A 8 -13.573 6.585 -6.716 1.00 74.41 H new ATOM 152 N SER A 9 -17.866 2.578 -1.505 1.00 41.24 N ATOM 153 CA SER A 9 -17.305 2.728 -0.133 1.00 44.13 C ATOM 154 C SER A 9 -17.038 1.333 0.475 1.00 74.35 C ATOM 155 O SER A 9 -17.936 0.487 0.570 1.00 10.42 O ATOM 156 CB SER A 9 -18.168 3.632 0.802 1.00 25.35 C ATOM 157 OG SER A 9 -17.503 3.900 2.032 1.00 73.44 O ATOM 0 H SER A 9 -17.169 2.744 -2.231 1.00 41.24 H new ATOM 0 HA SER A 9 -16.358 3.259 -0.223 1.00 44.13 H new ATOM 0 HB2 SER A 9 -18.391 4.571 0.296 1.00 25.35 H new ATOM 0 HB3 SER A 9 -19.122 3.144 1.002 1.00 25.35 H new ATOM 0 HG SER A 9 -18.070 4.470 2.593 1.00 73.44 H new ATOM 163 N GLY A 10 -15.781 1.120 0.887 1.00 52.12 N ATOM 164 CA GLY A 10 -15.252 -0.218 1.182 1.00 53.12 C ATOM 165 C GLY A 10 -14.367 -0.720 0.043 1.00 63.22 C ATOM 166 O GLY A 10 -13.999 -1.898 0.008 1.00 64.41 O ATOM 0 H GLY A 10 -15.103 1.870 1.025 1.00 52.12 H new ATOM 0 HA2 GLY A 10 -14.678 -0.190 2.108 1.00 53.12 H new ATOM 0 HA3 GLY A 10 -16.077 -0.913 1.339 1.00 53.12 H new ATOM 170 N ASP A 11 -14.062 0.192 -0.908 1.00 71.34 N ATOM 171 CA ASP A 11 -13.133 -0.046 -2.023 1.00 5.42 C ATOM 172 C ASP A 11 -11.690 -0.042 -1.496 1.00 72.25 C ATOM 173 O ASP A 11 -11.420 0.526 -0.432 1.00 14.31 O ATOM 174 CB ASP A 11 -13.282 1.072 -3.098 1.00 43.24 C ATOM 175 CG ASP A 11 -14.668 1.145 -3.760 1.00 54.44 C ATOM 176 OD1 ASP A 11 -15.665 1.412 -3.058 1.00 55.12 O ATOM 177 OD2 ASP A 11 -14.771 0.945 -4.984 1.00 43.34 O ATOM 0 H ASP A 11 -14.465 1.129 -0.917 1.00 71.34 H new ATOM 0 HA ASP A 11 -13.365 -1.011 -2.473 1.00 5.42 H new ATOM 0 HB2 ASP A 11 -13.064 2.034 -2.635 1.00 43.24 H new ATOM 0 HB3 ASP A 11 -12.532 0.915 -3.873 1.00 43.24 H new ATOM 182 N ILE A 12 -10.766 -0.644 -2.264 1.00 64.32 N ATOM 183 CA ILE A 12 -9.336 -0.659 -1.920 1.00 73.14 C ATOM 184 C ILE A 12 -8.787 0.779 -2.097 1.00 51.33 C ATOM 185 O ILE A 12 -8.541 1.235 -3.216 1.00 14.43 O ATOM 186 CB ILE A 12 -8.546 -1.674 -2.834 1.00 22.30 C ATOM 187 CG1 ILE A 12 -9.230 -3.080 -2.847 1.00 63.42 C ATOM 188 CG2 ILE A 12 -7.075 -1.785 -2.387 1.00 44.51 C ATOM 189 CD1 ILE A 12 -8.603 -4.087 -3.808 1.00 23.44 C ATOM 0 H ILE A 12 -10.988 -1.130 -3.133 1.00 64.32 H new ATOM 0 HA ILE A 12 -9.206 -0.987 -0.889 1.00 73.14 H new ATOM 0 HB ILE A 12 -8.565 -1.286 -3.852 1.00 22.30 H new ATOM 0 HG12 ILE A 12 -9.199 -3.493 -1.839 1.00 63.42 H new ATOM 0 HG13 ILE A 12 -10.281 -2.955 -3.108 1.00 63.42 H new ATOM 0 HG21 ILE A 12 -6.551 -2.490 -3.032 1.00 44.51 H new ATOM 0 HG22 ILE A 12 -6.599 -0.807 -2.456 1.00 44.51 H new ATOM 0 HG23 ILE A 12 -7.034 -2.136 -1.356 1.00 44.51 H new ATOM 0 HD11 ILE A 12 -9.143 -5.032 -3.748 1.00 23.44 H new ATOM 0 HD12 ILE A 12 -8.658 -3.701 -4.826 1.00 23.44 H new ATOM 0 HD13 ILE A 12 -7.560 -4.248 -3.537 1.00 23.44 H new ATOM 201 N GLN A 13 -8.622 1.483 -0.976 1.00 13.23 N ATOM 202 CA GLN A 13 -8.305 2.922 -0.957 1.00 1.53 C ATOM 203 C GLN A 13 -6.847 3.122 -0.521 1.00 32.54 C ATOM 204 O GLN A 13 -6.507 2.934 0.647 1.00 45.45 O ATOM 205 CB GLN A 13 -9.309 3.635 -0.012 1.00 32.05 C ATOM 206 CG GLN A 13 -9.125 5.160 0.151 1.00 35.32 C ATOM 207 CD GLN A 13 -10.216 5.809 1.021 1.00 25.41 C ATOM 208 OE1 GLN A 13 -11.371 5.373 1.033 1.00 3.53 O ATOM 209 NE2 GLN A 13 -9.860 6.846 1.759 1.00 61.44 N ATOM 0 H GLN A 13 -8.704 1.072 -0.046 1.00 13.23 H new ATOM 0 HA GLN A 13 -8.404 3.359 -1.951 1.00 1.53 H new ATOM 0 HB2 GLN A 13 -10.318 3.449 -0.380 1.00 32.05 H new ATOM 0 HB3 GLN A 13 -9.239 3.174 0.973 1.00 32.05 H new ATOM 0 HG2 GLN A 13 -8.149 5.357 0.595 1.00 35.32 H new ATOM 0 HG3 GLN A 13 -9.127 5.628 -0.834 1.00 35.32 H new ATOM 0 HE21 GLN A 13 -8.899 7.186 1.731 1.00 61.44 H new ATOM 0 HE22 GLN A 13 -10.546 7.306 2.357 1.00 61.44 H new ATOM 218 N VAL A 14 -5.998 3.467 -1.497 1.00 54.50 N ATOM 219 CA VAL A 14 -4.555 3.643 -1.312 1.00 61.05 C ATOM 220 C VAL A 14 -4.245 5.127 -1.050 1.00 12.42 C ATOM 221 O VAL A 14 -4.406 5.956 -1.938 1.00 14.24 O ATOM 222 CB VAL A 14 -3.767 3.168 -2.593 1.00 1.15 C ATOM 223 CG1 VAL A 14 -2.247 3.159 -2.337 1.00 22.20 C ATOM 224 CG2 VAL A 14 -4.260 1.788 -3.075 1.00 61.42 C ATOM 0 H VAL A 14 -6.303 3.635 -2.456 1.00 54.50 H new ATOM 0 HA VAL A 14 -4.240 3.040 -0.460 1.00 61.05 H new ATOM 0 HB VAL A 14 -3.967 3.885 -3.389 1.00 1.15 H new ATOM 0 HG11 VAL A 14 -1.728 2.828 -3.237 1.00 22.20 H new ATOM 0 HG12 VAL A 14 -1.916 4.164 -2.077 1.00 22.20 H new ATOM 0 HG13 VAL A 14 -2.020 2.479 -1.516 1.00 22.20 H new ATOM 0 HG21 VAL A 14 -3.697 1.489 -3.959 1.00 61.42 H new ATOM 0 HG22 VAL A 14 -4.112 1.052 -2.285 1.00 61.42 H new ATOM 0 HG23 VAL A 14 -5.320 1.846 -3.322 1.00 61.42 H new ATOM 234 N GLN A 15 -3.836 5.459 0.174 1.00 4.43 N ATOM 235 CA GLN A 15 -3.441 6.827 0.550 1.00 10.43 C ATOM 236 C GLN A 15 -1.968 6.826 0.966 1.00 21.32 C ATOM 237 O GLN A 15 -1.619 6.290 2.019 1.00 41.44 O ATOM 238 CB GLN A 15 -4.337 7.349 1.707 1.00 30.10 C ATOM 239 CG GLN A 15 -5.815 7.583 1.318 1.00 54.22 C ATOM 240 CD GLN A 15 -6.678 8.108 2.471 1.00 22.43 C ATOM 241 OE1 GLN A 15 -6.448 7.788 3.639 1.00 62.33 O ATOM 242 NE2 GLN A 15 -7.682 8.916 2.158 1.00 61.01 N ATOM 0 H GLN A 15 -3.767 4.788 0.939 1.00 4.43 H new ATOM 0 HA GLN A 15 -3.573 7.492 -0.303 1.00 10.43 H new ATOM 0 HB2 GLN A 15 -4.300 6.634 2.529 1.00 30.10 H new ATOM 0 HB3 GLN A 15 -3.920 8.285 2.079 1.00 30.10 H new ATOM 0 HG2 GLN A 15 -5.856 8.293 0.492 1.00 54.22 H new ATOM 0 HG3 GLN A 15 -6.239 6.647 0.955 1.00 54.22 H new ATOM 0 HE21 GLN A 15 -7.851 9.166 1.184 1.00 61.01 H new ATOM 0 HE22 GLN A 15 -8.285 9.288 2.892 1.00 61.01 H new ATOM 251 N ASN A 16 -1.106 7.406 0.127 1.00 5.21 N ATOM 252 CA ASN A 16 0.326 7.528 0.414 1.00 55.12 C ATOM 253 C ASN A 16 0.622 8.979 0.806 1.00 73.43 C ATOM 254 O ASN A 16 0.465 9.887 -0.015 1.00 74.03 O ATOM 255 CB ASN A 16 1.161 7.128 -0.828 1.00 31.11 C ATOM 256 CG ASN A 16 2.676 7.129 -0.567 1.00 55.21 C ATOM 257 OD1 ASN A 16 3.352 8.152 -0.681 1.00 25.04 O ATOM 258 ND2 ASN A 16 3.224 5.978 -0.238 1.00 12.42 N ATOM 0 H ASN A 16 -1.381 7.804 -0.771 1.00 5.21 H new ATOM 0 HA ASN A 16 0.596 6.860 1.232 1.00 55.12 H new ATOM 0 HB2 ASN A 16 0.857 6.135 -1.158 1.00 31.11 H new ATOM 0 HB3 ASN A 16 0.939 7.816 -1.644 1.00 31.11 H new ATOM 0 HD21 ASN A 16 4.229 5.921 -0.072 1.00 12.42 H new ATOM 0 HD22 ASN A 16 2.644 5.144 -0.149 1.00 12.42 H new ATOM 265 N ASN A 17 1.017 9.190 2.065 1.00 0.11 N ATOM 266 CA ASN A 17 1.483 10.494 2.548 1.00 21.22 C ATOM 267 C ASN A 17 3.006 10.430 2.643 1.00 73.43 C ATOM 268 O ASN A 17 3.552 9.755 3.518 1.00 51.24 O ATOM 269 CB ASN A 17 0.854 10.827 3.930 1.00 53.33 C ATOM 270 CG ASN A 17 -0.672 11.010 3.895 1.00 40.34 C ATOM 271 OD1 ASN A 17 -1.374 10.669 4.854 1.00 14.41 O ATOM 272 ND2 ASN A 17 -1.207 11.581 2.820 1.00 73.14 N ATOM 0 H ASN A 17 1.023 8.461 2.779 1.00 0.11 H new ATOM 0 HA ASN A 17 1.180 11.285 1.862 1.00 21.22 H new ATOM 0 HB2 ASN A 17 1.098 10.028 4.631 1.00 53.33 H new ATOM 0 HB3 ASN A 17 1.310 11.739 4.315 1.00 53.33 H new ATOM 0 HD21 ASN A 17 -2.213 11.745 2.777 1.00 73.14 H new ATOM 0 HD22 ASN A 17 -0.612 11.855 2.039 1.00 73.14 H new ATOM 279 N ASN A 18 3.681 11.124 1.722 1.00 2.41 N ATOM 280 CA ASN A 18 5.147 11.082 1.587 1.00 11.42 C ATOM 281 C ASN A 18 5.738 12.398 2.096 1.00 45.13 C ATOM 282 O ASN A 18 5.210 13.475 1.798 1.00 13.31 O ATOM 283 CB ASN A 18 5.523 10.803 0.107 1.00 34.52 C ATOM 284 CG ASN A 18 7.012 10.504 -0.120 1.00 1.34 C ATOM 285 OD1 ASN A 18 7.731 10.086 0.786 1.00 50.22 O ATOM 286 ND2 ASN A 18 7.467 10.648 -1.344 1.00 53.13 N ATOM 0 H ASN A 18 3.227 11.735 1.044 1.00 2.41 H new ATOM 0 HA ASN A 18 5.565 10.275 2.189 1.00 11.42 H new ATOM 0 HB2 ASN A 18 4.936 9.958 -0.252 1.00 34.52 H new ATOM 0 HB3 ASN A 18 5.241 11.666 -0.496 1.00 34.52 H new ATOM 0 HD21 ASN A 18 8.436 10.411 -1.559 1.00 53.13 H new ATOM 0 HD22 ASN A 18 6.852 10.997 -2.079 1.00 53.13 H new ATOM 293 N THR A 19 6.802 12.306 2.906 1.00 51.41 N ATOM 294 CA THR A 19 7.396 13.466 3.584 1.00 50.34 C ATOM 295 C THR A 19 8.715 13.884 2.904 1.00 62.15 C ATOM 296 O THR A 19 9.576 13.034 2.613 1.00 72.03 O ATOM 297 CB THR A 19 7.629 13.155 5.094 1.00 30.14 C ATOM 298 OG1 THR A 19 8.439 11.980 5.221 1.00 33.52 O ATOM 299 CG2 THR A 19 6.297 12.948 5.848 1.00 1.51 C ATOM 0 H THR A 19 7.275 11.425 3.109 1.00 51.41 H new ATOM 0 HA THR A 19 6.698 14.300 3.508 1.00 50.34 H new ATOM 0 HB THR A 19 8.136 14.012 5.539 1.00 30.14 H new ATOM 0 HG1 THR A 19 7.933 11.199 4.913 1.00 33.52 H new ATOM 0 HG21 THR A 19 6.502 12.734 6.897 1.00 1.51 H new ATOM 0 HG22 THR A 19 5.693 13.852 5.774 1.00 1.51 H new ATOM 0 HG23 THR A 19 5.755 12.112 5.406 1.00 1.51 H new ATOM 307 N CYS A 20 8.816 15.199 2.639 1.00 2.54 N ATOM 308 CA CYS A 20 9.973 15.850 2.017 1.00 52.32 C ATOM 309 C CYS A 20 10.206 15.335 0.579 1.00 21.34 C ATOM 310 O CYS A 20 11.341 15.114 0.143 1.00 41.54 O ATOM 311 CB CYS A 20 11.241 15.727 2.908 1.00 11.04 C ATOM 312 SG CYS A 20 12.625 16.743 2.342 1.00 61.12 S ATOM 0 H CYS A 20 8.067 15.855 2.861 1.00 2.54 H new ATOM 0 HA CYS A 20 9.753 16.914 1.934 1.00 52.32 H new ATOM 0 HB2 CYS A 20 10.986 16.011 3.929 1.00 11.04 H new ATOM 0 HB3 CYS A 20 11.555 14.684 2.936 1.00 11.04 H new ATOM 0 HG CYS A 20 13.123 16.232 1.255 1.00 61.12 H new ATOM 318 N ASN A 21 9.098 15.155 -0.160 1.00 51.44 N ATOM 319 CA ASN A 21 9.131 14.852 -1.607 1.00 70.24 C ATOM 320 C ASN A 21 9.202 16.176 -2.407 1.00 33.43 C ATOM 321 O ASN A 21 9.636 17.200 -1.864 1.00 22.51 O ATOM 322 CB ASN A 21 7.900 13.985 -2.000 1.00 23.11 C ATOM 323 CG ASN A 21 6.547 14.656 -1.747 1.00 11.44 C ATOM 324 OD1 ASN A 21 5.966 14.532 -0.671 1.00 31.22 O ATOM 325 ND2 ASN A 21 6.032 15.367 -2.734 1.00 3.01 N ATOM 0 H ASN A 21 8.155 15.215 0.225 1.00 51.44 H new ATOM 0 HA ASN A 21 10.020 14.270 -1.849 1.00 70.24 H new ATOM 0 HB2 ASN A 21 7.973 13.730 -3.057 1.00 23.11 H new ATOM 0 HB3 ASN A 21 7.937 13.049 -1.443 1.00 23.11 H new ATOM 0 HD21 ASN A 21 5.131 15.829 -2.613 1.00 3.01 H new ATOM 0 HD22 ASN A 21 6.535 15.454 -3.617 1.00 3.01 H new ATOM 332 N GLY A 22 8.822 16.151 -3.701 1.00 24.24 N ATOM 333 CA GLY A 22 8.749 17.375 -4.518 1.00 52.34 C ATOM 334 C GLY A 22 7.490 18.194 -4.226 1.00 25.40 C ATOM 335 O GLY A 22 6.975 18.166 -3.105 1.00 71.14 O ATOM 0 H GLY A 22 8.562 15.299 -4.199 1.00 24.24 H new ATOM 0 HA2 GLY A 22 9.630 17.988 -4.329 1.00 52.34 H new ATOM 0 HA3 GLY A 22 8.768 17.106 -5.574 1.00 52.34 H new ATOM 339 N LYS A 23 7.003 18.936 -5.237 1.00 15.13 N ATOM 340 CA LYS A 23 5.762 19.734 -5.141 1.00 30.21 C ATOM 341 C LYS A 23 4.524 18.861 -5.464 1.00 63.12 C ATOM 342 O LYS A 23 3.383 19.272 -5.217 1.00 32.15 O ATOM 343 CB LYS A 23 5.856 20.967 -6.093 1.00 12.25 C ATOM 344 CG LYS A 23 4.776 22.060 -5.871 1.00 2.54 C ATOM 345 CD LYS A 23 4.980 23.308 -6.760 1.00 73.23 C ATOM 346 CE LYS A 23 4.821 23.027 -8.262 1.00 63.43 C ATOM 347 NZ LYS A 23 3.441 22.591 -8.613 1.00 13.14 N ATOM 0 H LYS A 23 7.459 19.001 -6.147 1.00 15.13 H new ATOM 0 HA LYS A 23 5.646 20.096 -4.119 1.00 30.21 H new ATOM 0 HB2 LYS A 23 6.839 21.422 -5.975 1.00 12.25 H new ATOM 0 HB3 LYS A 23 5.788 20.616 -7.123 1.00 12.25 H new ATOM 0 HG2 LYS A 23 3.792 21.636 -6.072 1.00 2.54 H new ATOM 0 HG3 LYS A 23 4.785 22.363 -4.824 1.00 2.54 H new ATOM 0 HD2 LYS A 23 4.264 24.075 -6.465 1.00 73.23 H new ATOM 0 HD3 LYS A 23 5.975 23.714 -6.578 1.00 73.23 H new ATOM 0 HE2 LYS A 23 5.070 23.926 -8.826 1.00 63.43 H new ATOM 0 HE3 LYS A 23 5.531 22.256 -8.562 1.00 63.43 H new ATOM 0 HZ1 LYS A 23 3.354 22.511 -9.646 1.00 13.14 H new ATOM 0 HZ2 LYS A 23 3.248 21.667 -8.177 1.00 13.14 H new ATOM 0 HZ3 LYS A 23 2.756 23.290 -8.261 1.00 13.14 H new ATOM 361 N THR A 24 4.772 17.648 -6.016 1.00 44.03 N ATOM 362 CA THR A 24 3.729 16.653 -6.320 1.00 70.25 C ATOM 363 C THR A 24 2.980 16.232 -5.036 1.00 63.14 C ATOM 364 O THR A 24 3.604 15.879 -4.033 1.00 65.15 O ATOM 365 CB THR A 24 4.361 15.397 -7.017 1.00 11.45 C ATOM 366 OG1 THR A 24 5.161 15.811 -8.139 1.00 72.42 O ATOM 367 CG2 THR A 24 3.304 14.389 -7.505 1.00 21.53 C ATOM 0 H THR A 24 5.711 17.336 -6.263 1.00 44.03 H new ATOM 0 HA THR A 24 3.011 17.109 -7.001 1.00 70.25 H new ATOM 0 HB THR A 24 4.974 14.898 -6.266 1.00 11.45 H new ATOM 0 HG1 THR A 24 5.423 15.025 -8.662 1.00 72.42 H new ATOM 0 HG21 THR A 24 3.800 13.542 -7.978 1.00 21.53 H new ATOM 0 HG22 THR A 24 2.717 14.038 -6.656 1.00 21.53 H new ATOM 0 HG23 THR A 24 2.645 14.873 -8.226 1.00 21.53 H new ATOM 375 N PHE A 25 1.639 16.282 -5.090 1.00 75.13 N ATOM 376 CA PHE A 25 0.766 16.020 -3.927 1.00 20.24 C ATOM 377 C PHE A 25 0.795 14.520 -3.514 1.00 63.22 C ATOM 378 O PHE A 25 1.320 13.666 -4.248 1.00 62.11 O ATOM 379 CB PHE A 25 -0.684 16.503 -4.256 1.00 51.34 C ATOM 380 CG PHE A 25 -1.643 16.567 -3.065 1.00 71.30 C ATOM 381 CD1 PHE A 25 -1.535 17.591 -2.126 1.00 41.15 C ATOM 382 CD2 PHE A 25 -2.630 15.593 -2.870 1.00 64.34 C ATOM 383 CE1 PHE A 25 -2.386 17.650 -1.039 1.00 62.23 C ATOM 384 CE2 PHE A 25 -3.481 15.658 -1.783 1.00 42.25 C ATOM 385 CZ PHE A 25 -3.349 16.678 -0.863 1.00 63.13 C ATOM 0 H PHE A 25 1.125 16.506 -5.942 1.00 75.13 H new ATOM 0 HA PHE A 25 1.139 16.580 -3.069 1.00 20.24 H new ATOM 0 HB2 PHE A 25 -0.625 17.494 -4.706 1.00 51.34 H new ATOM 0 HB3 PHE A 25 -1.109 15.837 -5.007 1.00 51.34 H new ATOM 0 HD1 PHE A 25 -0.776 18.349 -2.250 1.00 41.15 H new ATOM 0 HD2 PHE A 25 -2.727 14.782 -3.577 1.00 64.34 H new ATOM 0 HE1 PHE A 25 -2.297 18.457 -0.327 1.00 62.23 H new ATOM 0 HE2 PHE A 25 -4.250 14.910 -1.654 1.00 42.25 H new ATOM 0 HZ PHE A 25 -4.001 16.715 -0.003 1.00 63.13 H new ATOM 395 N ASP A 26 0.241 14.236 -2.323 1.00 42.52 N ATOM 396 CA ASP A 26 0.110 12.877 -1.758 1.00 43.23 C ATOM 397 C ASP A 26 -0.622 11.929 -2.730 1.00 52.33 C ATOM 398 O ASP A 26 -1.661 12.286 -3.305 1.00 30.45 O ATOM 399 CB ASP A 26 -0.664 12.939 -0.420 1.00 24.03 C ATOM 400 CG ASP A 26 -0.076 13.958 0.572 1.00 64.54 C ATOM 401 OD1 ASP A 26 -0.496 15.136 0.542 1.00 44.05 O ATOM 402 OD2 ASP A 26 0.808 13.589 1.371 1.00 42.10 O ATOM 0 H ASP A 26 -0.137 14.959 -1.711 1.00 42.52 H new ATOM 0 HA ASP A 26 1.114 12.486 -1.591 1.00 43.23 H new ATOM 0 HB2 ASP A 26 -1.704 13.195 -0.621 1.00 24.03 H new ATOM 0 HB3 ASP A 26 -0.662 11.951 0.040 1.00 24.03 H new ATOM 407 N TYR A 27 -0.076 10.717 -2.884 1.00 61.10 N ATOM 408 CA TYR A 27 -0.517 9.750 -3.902 1.00 64.13 C ATOM 409 C TYR A 27 -1.754 8.978 -3.400 1.00 0.44 C ATOM 410 O TYR A 27 -1.637 7.920 -2.769 1.00 53.14 O ATOM 411 CB TYR A 27 0.667 8.807 -4.266 1.00 31.54 C ATOM 412 CG TYR A 27 1.967 9.565 -4.571 1.00 52.14 C ATOM 413 CD1 TYR A 27 2.100 10.324 -5.738 1.00 10.31 C ATOM 414 CD2 TYR A 27 3.043 9.555 -3.676 1.00 54.31 C ATOM 415 CE1 TYR A 27 3.254 11.037 -5.994 1.00 73.35 C ATOM 416 CE2 TYR A 27 4.196 10.274 -3.929 1.00 44.15 C ATOM 417 CZ TYR A 27 4.296 11.008 -5.087 1.00 55.30 C ATOM 418 OH TYR A 27 5.444 11.729 -5.340 1.00 24.22 O ATOM 0 H TYR A 27 0.690 10.375 -2.303 1.00 61.10 H new ATOM 0 HA TYR A 27 -0.816 10.271 -4.811 1.00 64.13 H new ATOM 0 HB2 TYR A 27 0.841 8.116 -3.441 1.00 31.54 H new ATOM 0 HB3 TYR A 27 0.392 8.206 -5.132 1.00 31.54 H new ATOM 0 HD1 TYR A 27 1.288 10.353 -6.449 1.00 10.31 H new ATOM 0 HD2 TYR A 27 2.971 8.973 -2.769 1.00 54.31 H new ATOM 0 HE1 TYR A 27 3.342 11.616 -6.901 1.00 73.35 H new ATOM 0 HE2 TYR A 27 5.012 10.259 -3.222 1.00 44.15 H new ATOM 0 HH TYR A 27 6.079 11.602 -4.604 1.00 24.22 H new ATOM 428 N THR A 28 -2.942 9.556 -3.660 1.00 1.24 N ATOM 429 CA THR A 28 -4.233 9.010 -3.213 1.00 44.42 C ATOM 430 C THR A 28 -5.056 8.492 -4.410 1.00 31.34 C ATOM 431 O THR A 28 -5.375 9.238 -5.344 1.00 52.42 O ATOM 432 CB THR A 28 -5.044 10.082 -2.424 1.00 42.24 C ATOM 433 OG1 THR A 28 -4.237 10.579 -1.335 1.00 31.02 O ATOM 434 CG2 THR A 28 -6.364 9.511 -1.865 1.00 1.52 C ATOM 0 H THR A 28 -3.031 10.422 -4.191 1.00 1.24 H new ATOM 0 HA THR A 28 -4.028 8.171 -2.547 1.00 44.42 H new ATOM 0 HB THR A 28 -5.297 10.888 -3.113 1.00 42.24 H new ATOM 0 HG1 THR A 28 -4.741 11.255 -0.836 1.00 31.02 H new ATOM 0 HG21 THR A 28 -6.897 10.292 -1.322 1.00 1.52 H new ATOM 0 HG22 THR A 28 -6.983 9.153 -2.688 1.00 1.52 H new ATOM 0 HG23 THR A 28 -6.145 8.684 -1.189 1.00 1.52 H new ATOM 442 N TYR A 29 -5.376 7.191 -4.356 1.00 63.04 N ATOM 443 CA TYR A 29 -6.113 6.463 -5.395 1.00 63.54 C ATOM 444 C TYR A 29 -7.171 5.582 -4.712 1.00 51.51 C ATOM 445 O TYR A 29 -6.933 5.078 -3.613 1.00 24.32 O ATOM 446 CB TYR A 29 -5.128 5.581 -6.221 1.00 10.14 C ATOM 447 CG TYR A 29 -3.907 6.347 -6.760 1.00 45.12 C ATOM 448 CD1 TYR A 29 -3.971 7.090 -7.943 1.00 50.14 C ATOM 449 CD2 TYR A 29 -2.689 6.334 -6.068 1.00 32.15 C ATOM 450 CE1 TYR A 29 -2.869 7.790 -8.405 1.00 63.21 C ATOM 451 CE2 TYR A 29 -1.593 7.029 -6.534 1.00 33.32 C ATOM 452 CZ TYR A 29 -1.686 7.754 -7.700 1.00 31.30 C ATOM 453 OH TYR A 29 -0.596 8.462 -8.160 1.00 45.02 O ATOM 0 H TYR A 29 -5.121 6.600 -3.564 1.00 63.04 H new ATOM 0 HA TYR A 29 -6.599 7.164 -6.074 1.00 63.54 H new ATOM 0 HB2 TYR A 29 -4.781 4.758 -5.596 1.00 10.14 H new ATOM 0 HB3 TYR A 29 -5.667 5.140 -7.059 1.00 10.14 H new ATOM 0 HD1 TYR A 29 -4.893 7.118 -8.504 1.00 50.14 H new ATOM 0 HD2 TYR A 29 -2.607 5.769 -5.152 1.00 32.15 H new ATOM 0 HE1 TYR A 29 -2.937 8.364 -9.317 1.00 63.21 H new ATOM 0 HE2 TYR A 29 -0.663 7.004 -5.985 1.00 33.32 H new ATOM 0 HH TYR A 29 0.159 8.333 -7.549 1.00 45.02 H new ATOM 463 N THR A 30 -8.338 5.410 -5.345 1.00 54.43 N ATOM 464 CA THR A 30 -9.390 4.509 -4.838 1.00 14.20 C ATOM 465 C THR A 30 -9.807 3.548 -5.958 1.00 30.21 C ATOM 466 O THR A 30 -10.473 3.945 -6.920 1.00 10.44 O ATOM 467 CB THR A 30 -10.612 5.320 -4.290 1.00 21.42 C ATOM 468 OG1 THR A 30 -10.153 6.230 -3.272 1.00 65.23 O ATOM 469 CG2 THR A 30 -11.715 4.416 -3.694 1.00 32.12 C ATOM 0 H THR A 30 -8.582 5.884 -6.214 1.00 54.43 H new ATOM 0 HA THR A 30 -8.998 3.929 -4.002 1.00 14.20 H new ATOM 0 HB THR A 30 -11.050 5.855 -5.133 1.00 21.42 H new ATOM 0 HG1 THR A 30 -10.913 6.743 -2.925 1.00 65.23 H new ATOM 0 HG21 THR A 30 -12.536 5.035 -3.331 1.00 32.12 H new ATOM 0 HG22 THR A 30 -12.085 3.738 -4.463 1.00 32.12 H new ATOM 0 HG23 THR A 30 -11.304 3.837 -2.867 1.00 32.12 H new ATOM 477 N VAL A 31 -9.359 2.290 -5.838 1.00 74.45 N ATOM 478 CA VAL A 31 -9.623 1.233 -6.825 1.00 34.54 C ATOM 479 C VAL A 31 -10.611 0.197 -6.250 1.00 1.52 C ATOM 480 O VAL A 31 -10.635 -0.049 -5.042 1.00 42.10 O ATOM 481 CB VAL A 31 -8.283 0.549 -7.298 1.00 51.33 C ATOM 482 CG1 VAL A 31 -7.327 1.581 -7.954 1.00 72.04 C ATOM 483 CG2 VAL A 31 -7.579 -0.203 -6.150 1.00 53.44 C ATOM 0 H VAL A 31 -8.798 1.975 -5.046 1.00 74.45 H new ATOM 0 HA VAL A 31 -10.082 1.689 -7.703 1.00 34.54 H new ATOM 0 HB VAL A 31 -8.553 -0.191 -8.051 1.00 51.33 H new ATOM 0 HG11 VAL A 31 -6.412 1.080 -8.270 1.00 72.04 H new ATOM 0 HG12 VAL A 31 -7.814 2.028 -8.821 1.00 72.04 H new ATOM 0 HG13 VAL A 31 -7.083 2.361 -7.233 1.00 72.04 H new ATOM 0 HG21 VAL A 31 -6.661 -0.658 -6.522 1.00 53.44 H new ATOM 0 HG22 VAL A 31 -7.338 0.497 -5.350 1.00 53.44 H new ATOM 0 HG23 VAL A 31 -8.239 -0.980 -5.765 1.00 53.44 H new ATOM 493 N THR A 32 -11.430 -0.391 -7.127 1.00 33.33 N ATOM 494 CA THR A 32 -12.504 -1.330 -6.733 1.00 34.24 C ATOM 495 C THR A 32 -12.101 -2.802 -6.992 1.00 35.40 C ATOM 496 O THR A 32 -12.822 -3.733 -6.613 1.00 53.20 O ATOM 497 CB THR A 32 -13.829 -0.972 -7.496 1.00 21.34 C ATOM 498 OG1 THR A 32 -14.925 -1.764 -7.011 1.00 34.40 O ATOM 499 CG2 THR A 32 -13.704 -1.146 -9.019 1.00 23.13 C ATOM 0 H THR A 32 -11.373 -0.234 -8.133 1.00 33.33 H new ATOM 0 HA THR A 32 -12.670 -1.227 -5.661 1.00 34.24 H new ATOM 0 HB THR A 32 -14.021 0.083 -7.299 1.00 21.34 H new ATOM 0 HG1 THR A 32 -14.583 -2.606 -6.645 1.00 34.40 H new ATOM 0 HG21 THR A 32 -14.650 -0.884 -9.494 1.00 23.13 H new ATOM 0 HG22 THR A 32 -12.916 -0.494 -9.396 1.00 23.13 H new ATOM 0 HG23 THR A 32 -13.458 -2.183 -9.248 1.00 23.13 H new ATOM 507 N THR A 33 -10.921 -2.999 -7.609 1.00 41.21 N ATOM 508 CA THR A 33 -10.442 -4.317 -8.068 1.00 71.22 C ATOM 509 C THR A 33 -8.915 -4.452 -7.809 1.00 10.33 C ATOM 510 O THR A 33 -8.182 -3.454 -7.851 1.00 53.02 O ATOM 511 CB THR A 33 -10.807 -4.496 -9.586 1.00 14.42 C ATOM 512 OG1 THR A 33 -12.229 -4.326 -9.771 1.00 13.13 O ATOM 513 CG2 THR A 33 -10.392 -5.862 -10.149 1.00 23.04 C ATOM 0 H THR A 33 -10.267 -2.241 -7.805 1.00 41.21 H new ATOM 0 HA THR A 33 -10.931 -5.113 -7.507 1.00 71.22 H new ATOM 0 HB THR A 33 -10.249 -3.734 -10.131 1.00 14.42 H new ATOM 0 HG1 THR A 33 -12.451 -4.437 -10.719 1.00 13.13 H new ATOM 0 HG21 THR A 33 -10.672 -5.922 -11.201 1.00 23.04 H new ATOM 0 HG22 THR A 33 -9.313 -5.982 -10.053 1.00 23.04 H new ATOM 0 HG23 THR A 33 -10.896 -6.653 -9.593 1.00 23.04 H new ATOM 521 N GLU A 34 -8.460 -5.700 -7.527 1.00 63.45 N ATOM 522 CA GLU A 34 -7.079 -6.001 -7.079 1.00 3.22 C ATOM 523 C GLU A 34 -6.047 -5.858 -8.203 1.00 21.42 C ATOM 524 O GLU A 34 -4.877 -5.547 -7.936 1.00 22.33 O ATOM 525 CB GLU A 34 -7.002 -7.427 -6.511 1.00 12.51 C ATOM 526 CG GLU A 34 -7.937 -7.699 -5.321 1.00 13.43 C ATOM 527 CD GLU A 34 -7.807 -9.134 -4.809 1.00 33.15 C ATOM 528 OE1 GLU A 34 -6.695 -9.524 -4.412 1.00 44.35 O ATOM 529 OE2 GLU A 34 -8.790 -9.893 -4.831 1.00 74.33 O ATOM 0 H GLU A 34 -9.047 -6.530 -7.605 1.00 63.45 H new ATOM 0 HA GLU A 34 -6.838 -5.270 -6.308 1.00 3.22 H new ATOM 0 HB2 GLU A 34 -7.236 -8.133 -7.308 1.00 12.51 H new ATOM 0 HB3 GLU A 34 -5.976 -7.625 -6.201 1.00 12.51 H new ATOM 0 HG2 GLU A 34 -7.708 -7.003 -4.513 1.00 13.43 H new ATOM 0 HG3 GLU A 34 -8.968 -7.512 -5.620 1.00 13.43 H new ATOM 536 N SER A 35 -6.473 -6.107 -9.449 1.00 33.32 N ATOM 537 CA SER A 35 -5.626 -5.892 -10.622 1.00 73.43 C ATOM 538 C SER A 35 -5.198 -4.417 -10.678 1.00 3.31 C ATOM 539 O SER A 35 -4.002 -4.125 -10.704 1.00 54.20 O ATOM 540 CB SER A 35 -6.374 -6.321 -11.896 1.00 35.23 C ATOM 541 OG SER A 35 -7.658 -5.732 -11.962 1.00 12.01 O ATOM 0 H SER A 35 -7.405 -6.459 -9.667 1.00 33.32 H new ATOM 0 HA SER A 35 -4.726 -6.503 -10.550 1.00 73.43 H new ATOM 0 HB2 SER A 35 -5.795 -6.035 -12.774 1.00 35.23 H new ATOM 0 HB3 SER A 35 -6.468 -7.407 -11.917 1.00 35.23 H new ATOM 0 HG SER A 35 -7.591 -4.848 -12.379 1.00 12.01 H new ATOM 547 N GLU A 36 -6.202 -3.520 -10.549 1.00 10.33 N ATOM 548 CA GLU A 36 -6.016 -2.057 -10.557 1.00 43.23 C ATOM 549 C GLU A 36 -5.032 -1.616 -9.450 1.00 13.15 C ATOM 550 O GLU A 36 -4.202 -0.715 -9.654 1.00 72.51 O ATOM 551 CB GLU A 36 -7.380 -1.339 -10.340 1.00 21.35 C ATOM 552 CG GLU A 36 -8.578 -1.937 -11.098 1.00 32.22 C ATOM 553 CD GLU A 36 -8.391 -1.981 -12.623 1.00 3.22 C ATOM 554 OE1 GLU A 36 -8.657 -0.961 -13.291 1.00 25.15 O ATOM 555 OE2 GLU A 36 -7.981 -3.032 -13.156 1.00 31.34 O ATOM 0 H GLU A 36 -7.176 -3.799 -10.435 1.00 10.33 H new ATOM 0 HA GLU A 36 -5.604 -1.780 -11.527 1.00 43.23 H new ATOM 0 HB2 GLU A 36 -7.608 -1.346 -9.274 1.00 21.35 H new ATOM 0 HB3 GLU A 36 -7.271 -0.295 -10.635 1.00 21.35 H new ATOM 0 HG2 GLU A 36 -8.757 -2.949 -10.734 1.00 32.22 H new ATOM 0 HG3 GLU A 36 -9.469 -1.353 -10.868 1.00 32.22 H new ATOM 562 N LEU A 37 -5.148 -2.293 -8.287 1.00 23.51 N ATOM 563 CA LEU A 37 -4.293 -2.066 -7.111 1.00 32.41 C ATOM 564 C LEU A 37 -2.812 -2.329 -7.431 1.00 62.12 C ATOM 565 O LEU A 37 -1.961 -1.471 -7.192 1.00 72.55 O ATOM 566 CB LEU A 37 -4.744 -2.985 -5.949 1.00 72.02 C ATOM 567 CG LEU A 37 -3.841 -2.970 -4.673 1.00 2.44 C ATOM 568 CD1 LEU A 37 -3.847 -1.595 -3.981 1.00 62.01 C ATOM 569 CD2 LEU A 37 -4.231 -4.094 -3.704 1.00 32.32 C ATOM 0 H LEU A 37 -5.848 -3.020 -8.141 1.00 23.51 H new ATOM 0 HA LEU A 37 -4.396 -1.021 -6.819 1.00 32.41 H new ATOM 0 HB2 LEU A 37 -5.755 -2.700 -5.658 1.00 72.02 H new ATOM 0 HB3 LEU A 37 -4.796 -4.008 -6.321 1.00 72.02 H new ATOM 0 HG LEU A 37 -2.817 -3.155 -4.997 1.00 2.44 H new ATOM 0 HD11 LEU A 37 -3.207 -1.629 -3.099 1.00 62.01 H new ATOM 0 HD12 LEU A 37 -3.474 -0.839 -4.671 1.00 62.01 H new ATOM 0 HD13 LEU A 37 -4.864 -1.343 -3.682 1.00 62.01 H new ATOM 0 HD21 LEU A 37 -3.586 -4.058 -2.826 1.00 32.32 H new ATOM 0 HD22 LEU A 37 -5.269 -3.966 -3.397 1.00 32.32 H new ATOM 0 HD23 LEU A 37 -4.116 -5.058 -4.200 1.00 32.32 H new ATOM 581 N GLN A 38 -2.526 -3.518 -7.992 1.00 31.31 N ATOM 582 CA GLN A 38 -1.149 -3.943 -8.292 1.00 72.24 C ATOM 583 C GLN A 38 -0.510 -3.058 -9.379 1.00 21.51 C ATOM 584 O GLN A 38 0.706 -2.815 -9.352 1.00 24.01 O ATOM 585 CB GLN A 38 -1.125 -5.440 -8.702 1.00 20.34 C ATOM 586 CG GLN A 38 -1.589 -6.422 -7.594 1.00 75.53 C ATOM 587 CD GLN A 38 -0.636 -6.546 -6.390 1.00 53.32 C ATOM 588 OE1 GLN A 38 0.078 -5.615 -6.016 1.00 24.41 O ATOM 589 NE2 GLN A 38 -0.623 -7.710 -5.764 1.00 14.34 N ATOM 0 H GLN A 38 -3.236 -4.204 -8.248 1.00 31.31 H new ATOM 0 HA GLN A 38 -0.552 -3.824 -7.388 1.00 72.24 H new ATOM 0 HB2 GLN A 38 -1.761 -5.574 -9.577 1.00 20.34 H new ATOM 0 HB3 GLN A 38 -0.111 -5.705 -9.002 1.00 20.34 H new ATOM 0 HG2 GLN A 38 -2.566 -6.102 -7.233 1.00 75.53 H new ATOM 0 HG3 GLN A 38 -1.720 -7.409 -8.037 1.00 75.53 H new ATOM 0 HE21 GLN A 38 -1.221 -8.470 -6.088 1.00 14.34 H new ATOM 0 HE22 GLN A 38 -0.015 -7.848 -4.957 1.00 14.34 H new ATOM 598 N LYS A 39 -1.359 -2.548 -10.302 1.00 62.10 N ATOM 599 CA LYS A 39 -0.926 -1.641 -11.372 1.00 24.13 C ATOM 600 C LYS A 39 -0.446 -0.301 -10.769 1.00 23.11 C ATOM 601 O LYS A 39 0.622 0.209 -11.134 1.00 64.11 O ATOM 602 CB LYS A 39 -2.076 -1.374 -12.395 1.00 3.33 C ATOM 603 CG LYS A 39 -2.726 -2.594 -13.104 1.00 25.03 C ATOM 604 CD LYS A 39 -1.723 -3.610 -13.734 1.00 54.24 C ATOM 605 CE LYS A 39 -1.426 -4.813 -12.822 1.00 74.32 C ATOM 606 NZ LYS A 39 -0.429 -5.741 -13.424 1.00 41.05 N ATOM 0 H LYS A 39 -2.357 -2.757 -10.319 1.00 62.10 H new ATOM 0 HA LYS A 39 -0.103 -2.121 -11.902 1.00 24.13 H new ATOM 0 HB2 LYS A 39 -2.865 -0.832 -11.874 1.00 3.33 H new ATOM 0 HB3 LYS A 39 -1.688 -0.709 -13.166 1.00 3.33 H new ATOM 0 HG2 LYS A 39 -3.349 -3.123 -12.383 1.00 25.03 H new ATOM 0 HG3 LYS A 39 -3.388 -2.227 -13.889 1.00 25.03 H new ATOM 0 HD2 LYS A 39 -2.127 -3.970 -14.680 1.00 54.24 H new ATOM 0 HD3 LYS A 39 -0.789 -3.095 -13.962 1.00 54.24 H new ATOM 0 HE2 LYS A 39 -1.054 -4.456 -11.862 1.00 74.32 H new ATOM 0 HE3 LYS A 39 -2.351 -5.354 -12.624 1.00 74.32 H new ATOM 0 HZ1 LYS A 39 -0.259 -6.536 -12.776 1.00 41.05 H new ATOM 0 HZ2 LYS A 39 -0.793 -6.103 -14.328 1.00 41.05 H new ATOM 0 HZ3 LYS A 39 0.463 -5.233 -13.589 1.00 41.05 H new ATOM 620 N VAL A 40 -1.238 0.254 -9.817 1.00 5.15 N ATOM 621 CA VAL A 40 -0.973 1.596 -9.267 1.00 61.41 C ATOM 622 C VAL A 40 0.178 1.571 -8.235 1.00 73.21 C ATOM 623 O VAL A 40 0.976 2.504 -8.198 1.00 15.21 O ATOM 624 CB VAL A 40 -2.263 2.282 -8.660 1.00 3.24 C ATOM 625 CG1 VAL A 40 -2.763 1.604 -7.367 1.00 4.35 C ATOM 626 CG2 VAL A 40 -2.026 3.789 -8.452 1.00 71.21 C ATOM 0 H VAL A 40 -2.057 -0.207 -9.421 1.00 5.15 H new ATOM 0 HA VAL A 40 -0.661 2.210 -10.112 1.00 61.41 H new ATOM 0 HB VAL A 40 -3.062 2.151 -9.390 1.00 3.24 H new ATOM 0 HG11 VAL A 40 -3.650 2.123 -7.003 1.00 4.35 H new ATOM 0 HG12 VAL A 40 -3.012 0.563 -7.575 1.00 4.35 H new ATOM 0 HG13 VAL A 40 -1.981 1.646 -6.608 1.00 4.35 H new ATOM 0 HG21 VAL A 40 -2.924 4.244 -8.034 1.00 71.21 H new ATOM 0 HG22 VAL A 40 -1.192 3.935 -7.766 1.00 71.21 H new ATOM 0 HG23 VAL A 40 -1.794 4.256 -9.409 1.00 71.21 H new ATOM 636 N LEU A 41 0.275 0.479 -7.432 1.00 75.31 N ATOM 637 CA LEU A 41 1.337 0.322 -6.404 1.00 62.30 C ATOM 638 C LEU A 41 2.727 0.175 -7.040 1.00 22.43 C ATOM 639 O LEU A 41 3.739 0.505 -6.405 1.00 52.20 O ATOM 640 CB LEU A 41 1.059 -0.893 -5.472 1.00 33.20 C ATOM 641 CG LEU A 41 -0.129 -0.749 -4.474 1.00 13.24 C ATOM 642 CD1 LEU A 41 -0.257 -2.008 -3.589 1.00 32.04 C ATOM 643 CD2 LEU A 41 0.019 0.525 -3.617 1.00 10.40 C ATOM 0 H LEU A 41 -0.372 -0.308 -7.478 1.00 75.31 H new ATOM 0 HA LEU A 41 1.323 1.233 -5.805 1.00 62.30 H new ATOM 0 HB2 LEU A 41 0.875 -1.767 -6.097 1.00 33.20 H new ATOM 0 HB3 LEU A 41 1.963 -1.096 -4.898 1.00 33.20 H new ATOM 0 HG LEU A 41 -1.048 -0.652 -5.052 1.00 13.24 H new ATOM 0 HD11 LEU A 41 -1.093 -1.885 -2.900 1.00 32.04 H new ATOM 0 HD12 LEU A 41 -0.432 -2.880 -4.220 1.00 32.04 H new ATOM 0 HD13 LEU A 41 0.663 -2.149 -3.022 1.00 32.04 H new ATOM 0 HD21 LEU A 41 -0.823 0.601 -2.929 1.00 10.40 H new ATOM 0 HD22 LEU A 41 0.948 0.475 -3.049 1.00 10.40 H new ATOM 0 HD23 LEU A 41 0.037 1.400 -4.266 1.00 10.40 H new ATOM 655 N ASN A 42 2.759 -0.342 -8.283 1.00 65.23 N ATOM 656 CA ASN A 42 3.995 -0.440 -9.078 1.00 71.21 C ATOM 657 C ASN A 42 4.567 0.969 -9.333 1.00 61.30 C ATOM 658 O ASN A 42 5.710 1.251 -8.972 1.00 44.32 O ATOM 659 CB ASN A 42 3.729 -1.181 -10.419 1.00 45.42 C ATOM 660 CG ASN A 42 4.997 -1.412 -11.261 1.00 13.21 C ATOM 661 OD1 ASN A 42 6.105 -1.566 -10.733 1.00 50.23 O ATOM 662 ND2 ASN A 42 4.843 -1.447 -12.576 1.00 23.54 N ATOM 0 H ASN A 42 1.933 -0.701 -8.761 1.00 65.23 H new ATOM 0 HA ASN A 42 4.729 -1.019 -8.518 1.00 71.21 H new ATOM 0 HB2 ASN A 42 3.265 -2.144 -10.206 1.00 45.42 H new ATOM 0 HB3 ASN A 42 3.014 -0.605 -11.006 1.00 45.42 H new ATOM 0 HD21 ASN A 42 5.650 -1.604 -13.180 1.00 23.54 H new ATOM 0 HD22 ASN A 42 3.918 -1.317 -12.985 1.00 23.54 H new ATOM 669 N GLU A 43 3.721 1.862 -9.889 1.00 44.42 N ATOM 670 CA GLU A 43 4.101 3.256 -10.191 1.00 63.11 C ATOM 671 C GLU A 43 4.329 4.069 -8.902 1.00 11.34 C ATOM 672 O GLU A 43 5.229 4.912 -8.849 1.00 73.41 O ATOM 673 CB GLU A 43 3.010 3.953 -11.037 1.00 62.12 C ATOM 674 CG GLU A 43 2.794 3.374 -12.446 1.00 2.33 C ATOM 675 CD GLU A 43 1.827 4.225 -13.280 1.00 11.44 C ATOM 676 OE1 GLU A 43 2.250 5.266 -13.823 1.00 55.51 O ATOM 677 OE2 GLU A 43 0.641 3.869 -13.390 1.00 41.24 O ATOM 0 H GLU A 43 2.758 1.637 -10.140 1.00 44.42 H new ATOM 0 HA GLU A 43 5.032 3.217 -10.756 1.00 63.11 H new ATOM 0 HB2 GLU A 43 2.066 3.903 -10.494 1.00 62.12 H new ATOM 0 HB3 GLU A 43 3.267 5.008 -11.132 1.00 62.12 H new ATOM 0 HG2 GLU A 43 3.753 3.307 -12.960 1.00 2.33 H new ATOM 0 HG3 GLU A 43 2.405 2.359 -12.364 1.00 2.33 H new ATOM 684 N LEU A 44 3.492 3.795 -7.878 1.00 54.40 N ATOM 685 CA LEU A 44 3.487 4.520 -6.590 1.00 41.11 C ATOM 686 C LEU A 44 4.834 4.340 -5.876 1.00 62.44 C ATOM 687 O LEU A 44 5.385 5.295 -5.316 1.00 73.13 O ATOM 688 CB LEU A 44 2.278 4.032 -5.743 1.00 53.01 C ATOM 689 CG LEU A 44 1.954 4.804 -4.403 1.00 32.00 C ATOM 690 CD1 LEU A 44 0.432 4.891 -4.166 1.00 74.35 C ATOM 691 CD2 LEU A 44 2.634 4.149 -3.177 1.00 64.41 C ATOM 0 H LEU A 44 2.792 3.054 -7.924 1.00 54.40 H new ATOM 0 HA LEU A 44 3.367 5.591 -6.751 1.00 41.11 H new ATOM 0 HB2 LEU A 44 1.390 4.071 -6.374 1.00 53.01 H new ATOM 0 HB3 LEU A 44 2.446 2.984 -5.493 1.00 53.01 H new ATOM 0 HG LEU A 44 2.356 5.810 -4.518 1.00 32.00 H new ATOM 0 HD11 LEU A 44 0.239 5.427 -3.237 1.00 74.35 H new ATOM 0 HD12 LEU A 44 -0.036 5.422 -4.995 1.00 74.35 H new ATOM 0 HD13 LEU A 44 0.016 3.886 -4.098 1.00 74.35 H new ATOM 0 HD21 LEU A 44 2.384 4.712 -2.278 1.00 64.41 H new ATOM 0 HD22 LEU A 44 2.283 3.123 -3.071 1.00 64.41 H new ATOM 0 HD23 LEU A 44 3.715 4.150 -3.317 1.00 64.41 H new ATOM 703 N LYS A 45 5.365 3.109 -5.971 1.00 12.31 N ATOM 704 CA LYS A 45 6.723 2.743 -5.535 1.00 74.12 C ATOM 705 C LYS A 45 7.778 3.679 -6.157 1.00 1.44 C ATOM 706 O LYS A 45 8.589 4.286 -5.448 1.00 31.51 O ATOM 707 CB LYS A 45 6.969 1.263 -5.956 1.00 5.34 C ATOM 708 CG LYS A 45 8.398 0.717 -5.746 1.00 4.01 C ATOM 709 CD LYS A 45 8.559 -0.758 -6.191 1.00 42.42 C ATOM 710 CE LYS A 45 8.138 -1.016 -7.658 1.00 12.43 C ATOM 711 NZ LYS A 45 8.853 -0.139 -8.624 1.00 1.23 N ATOM 0 H LYS A 45 4.849 2.322 -6.363 1.00 12.31 H new ATOM 0 HA LYS A 45 6.812 2.848 -4.454 1.00 74.12 H new ATOM 0 HB2 LYS A 45 6.277 0.630 -5.400 1.00 5.34 H new ATOM 0 HB3 LYS A 45 6.716 1.162 -7.011 1.00 5.34 H new ATOM 0 HG2 LYS A 45 9.102 1.336 -6.302 1.00 4.01 H new ATOM 0 HG3 LYS A 45 8.661 0.803 -4.692 1.00 4.01 H new ATOM 0 HD2 LYS A 45 9.600 -1.055 -6.064 1.00 42.42 H new ATOM 0 HD3 LYS A 45 7.964 -1.393 -5.535 1.00 42.42 H new ATOM 0 HE2 LYS A 45 8.331 -2.059 -7.909 1.00 12.43 H new ATOM 0 HE3 LYS A 45 7.064 -0.858 -7.756 1.00 12.43 H new ATOM 0 HZ1 LYS A 45 8.174 0.509 -9.073 1.00 1.23 H new ATOM 0 HZ2 LYS A 45 9.578 0.412 -8.122 1.00 1.23 H new ATOM 0 HZ3 LYS A 45 9.307 -0.724 -9.354 1.00 1.23 H new ATOM 725 N ASP A 46 7.704 3.833 -7.484 1.00 13.34 N ATOM 726 CA ASP A 46 8.678 4.618 -8.255 1.00 74.51 C ATOM 727 C ASP A 46 8.476 6.139 -8.082 1.00 73.20 C ATOM 728 O ASP A 46 9.393 6.909 -8.367 1.00 41.53 O ATOM 729 CB ASP A 46 8.604 4.239 -9.753 1.00 64.43 C ATOM 730 CG ASP A 46 8.881 2.750 -10.021 1.00 45.44 C ATOM 731 OD1 ASP A 46 10.019 2.291 -9.790 1.00 0.43 O ATOM 732 OD2 ASP A 46 7.965 2.020 -10.429 1.00 43.11 O ATOM 0 H ASP A 46 6.968 3.417 -8.055 1.00 13.34 H new ATOM 0 HA ASP A 46 9.667 4.376 -7.865 1.00 74.51 H new ATOM 0 HB2 ASP A 46 7.615 4.492 -10.136 1.00 64.43 H new ATOM 0 HB3 ASP A 46 9.324 4.840 -10.308 1.00 64.43 H new ATOM 737 N TYR A 47 7.271 6.568 -7.643 1.00 11.12 N ATOM 738 CA TYR A 47 6.995 7.992 -7.321 1.00 40.34 C ATOM 739 C TYR A 47 7.717 8.400 -6.016 1.00 44.43 C ATOM 740 O TYR A 47 8.317 9.478 -5.937 1.00 1.23 O ATOM 741 CB TYR A 47 5.471 8.266 -7.180 1.00 1.24 C ATOM 742 CG TYR A 47 4.628 8.110 -8.459 1.00 41.34 C ATOM 743 CD1 TYR A 47 5.117 8.492 -9.709 1.00 51.22 C ATOM 744 CD2 TYR A 47 3.323 7.599 -8.404 1.00 51.21 C ATOM 745 CE1 TYR A 47 4.344 8.357 -10.851 1.00 42.11 C ATOM 746 CE2 TYR A 47 2.553 7.463 -9.544 1.00 34.04 C ATOM 747 CZ TYR A 47 3.067 7.846 -10.763 1.00 40.43 C ATOM 748 OH TYR A 47 2.303 7.698 -11.903 1.00 2.23 O ATOM 0 H TYR A 47 6.472 5.950 -7.503 1.00 11.12 H new ATOM 0 HA TYR A 47 7.373 8.590 -8.150 1.00 40.34 H new ATOM 0 HB2 TYR A 47 5.071 7.592 -6.422 1.00 1.24 H new ATOM 0 HB3 TYR A 47 5.339 9.281 -6.805 1.00 1.24 H new ATOM 0 HD1 TYR A 47 6.114 8.899 -9.788 1.00 51.22 H new ATOM 0 HD2 TYR A 47 2.911 7.305 -7.450 1.00 51.21 H new ATOM 0 HE1 TYR A 47 4.742 8.652 -11.810 1.00 42.11 H new ATOM 0 HE2 TYR A 47 1.554 7.059 -9.479 1.00 34.04 H new ATOM 0 HH TYR A 47 2.492 6.828 -12.313 1.00 2.23 H new ATOM 758 N ILE A 48 7.647 7.505 -5.007 1.00 41.10 N ATOM 759 CA ILE A 48 8.336 7.666 -3.700 1.00 33.32 C ATOM 760 C ILE A 48 9.867 7.676 -3.908 1.00 32.43 C ATOM 761 O ILE A 48 10.602 8.440 -3.276 1.00 32.01 O ATOM 762 CB ILE A 48 7.966 6.479 -2.731 1.00 43.13 C ATOM 763 CG1 ILE A 48 6.420 6.383 -2.519 1.00 13.31 C ATOM 764 CG2 ILE A 48 8.711 6.591 -1.371 1.00 33.34 C ATOM 765 CD1 ILE A 48 5.948 5.060 -1.927 1.00 62.24 C ATOM 0 H ILE A 48 7.107 6.642 -5.073 1.00 41.10 H new ATOM 0 HA ILE A 48 8.013 8.609 -3.259 1.00 33.32 H new ATOM 0 HB ILE A 48 8.298 5.557 -3.209 1.00 43.13 H new ATOM 0 HG12 ILE A 48 6.104 7.194 -1.863 1.00 13.31 H new ATOM 0 HG13 ILE A 48 5.924 6.536 -3.477 1.00 13.31 H new ATOM 0 HG21 ILE A 48 8.429 5.754 -0.732 1.00 33.34 H new ATOM 0 HG22 ILE A 48 9.787 6.570 -1.543 1.00 33.34 H new ATOM 0 HG23 ILE A 48 8.440 7.528 -0.884 1.00 33.34 H new ATOM 0 HD11 ILE A 48 4.864 5.078 -1.813 1.00 62.24 H new ATOM 0 HD12 ILE A 48 6.229 4.243 -2.592 1.00 62.24 H new ATOM 0 HD13 ILE A 48 6.413 4.911 -0.952 1.00 62.24 H new ATOM 777 N LYS A 49 10.317 6.789 -4.809 1.00 41.40 N ATOM 778 CA LYS A 49 11.733 6.644 -5.176 1.00 11.14 C ATOM 779 C LYS A 49 12.242 7.895 -5.921 1.00 21.01 C ATOM 780 O LYS A 49 13.375 8.334 -5.712 1.00 4.43 O ATOM 781 CB LYS A 49 11.901 5.380 -6.048 1.00 64.12 C ATOM 782 CG LYS A 49 13.359 4.982 -6.357 1.00 41.41 C ATOM 783 CD LYS A 49 13.450 3.703 -7.224 1.00 65.42 C ATOM 784 CE LYS A 49 12.716 3.844 -8.568 1.00 24.05 C ATOM 785 NZ LYS A 49 12.765 2.591 -9.362 1.00 4.13 N ATOM 0 H LYS A 49 9.702 6.146 -5.308 1.00 41.40 H new ATOM 0 HA LYS A 49 12.329 6.540 -4.269 1.00 11.14 H new ATOM 0 HB2 LYS A 49 11.412 4.545 -5.546 1.00 64.12 H new ATOM 0 HB3 LYS A 49 11.377 5.537 -6.991 1.00 64.12 H new ATOM 0 HG2 LYS A 49 13.856 5.804 -6.873 1.00 41.41 H new ATOM 0 HG3 LYS A 49 13.895 4.823 -5.422 1.00 41.41 H new ATOM 0 HD2 LYS A 49 14.498 3.469 -7.410 1.00 65.42 H new ATOM 0 HD3 LYS A 49 13.029 2.863 -6.671 1.00 65.42 H new ATOM 0 HE2 LYS A 49 11.677 4.118 -8.387 1.00 24.05 H new ATOM 0 HE3 LYS A 49 13.164 4.655 -9.142 1.00 24.05 H new ATOM 0 HZ1 LYS A 49 13.312 2.752 -10.232 1.00 4.13 H new ATOM 0 HZ2 LYS A 49 13.220 1.842 -8.801 1.00 4.13 H new ATOM 0 HZ3 LYS A 49 11.798 2.299 -9.610 1.00 4.13 H new ATOM 799 N LYS A 50 11.371 8.460 -6.778 1.00 72.34 N ATOM 800 CA LYS A 50 11.656 9.688 -7.551 1.00 35.12 C ATOM 801 C LYS A 50 11.855 10.897 -6.617 1.00 14.51 C ATOM 802 O LYS A 50 12.773 11.704 -6.804 1.00 21.21 O ATOM 803 CB LYS A 50 10.492 9.957 -8.548 1.00 52.30 C ATOM 804 CG LYS A 50 10.597 11.292 -9.325 1.00 63.22 C ATOM 805 CD LYS A 50 9.405 11.541 -10.277 1.00 65.40 C ATOM 806 CE LYS A 50 9.366 10.565 -11.467 1.00 12.33 C ATOM 807 NZ LYS A 50 10.569 10.678 -12.344 1.00 21.21 N ATOM 0 H LYS A 50 10.443 8.076 -6.956 1.00 72.34 H new ATOM 0 HA LYS A 50 12.582 9.543 -8.108 1.00 35.12 H new ATOM 0 HB2 LYS A 50 10.451 9.138 -9.266 1.00 52.30 H new ATOM 0 HB3 LYS A 50 9.551 9.946 -7.998 1.00 52.30 H new ATOM 0 HG2 LYS A 50 10.662 12.115 -8.613 1.00 63.22 H new ATOM 0 HG3 LYS A 50 11.521 11.296 -9.903 1.00 63.22 H new ATOM 0 HD2 LYS A 50 8.475 11.456 -9.715 1.00 65.40 H new ATOM 0 HD3 LYS A 50 9.457 12.562 -10.654 1.00 65.40 H new ATOM 0 HE2 LYS A 50 9.289 9.544 -11.092 1.00 12.33 H new ATOM 0 HE3 LYS A 50 8.471 10.756 -12.059 1.00 12.33 H new ATOM 0 HZ1 LYS A 50 10.424 10.114 -13.206 1.00 21.21 H new ATOM 0 HZ2 LYS A 50 10.718 11.674 -12.603 1.00 21.21 H new ATOM 0 HZ3 LYS A 50 11.404 10.324 -11.835 1.00 21.21 H new ATOM 821 N GLN A 51 10.982 10.992 -5.608 1.00 70.23 N ATOM 822 CA GLN A 51 10.942 12.118 -4.668 1.00 34.41 C ATOM 823 C GLN A 51 10.434 11.623 -3.296 1.00 20.32 C ATOM 824 O GLN A 51 9.386 10.983 -3.218 1.00 43.11 O ATOM 825 CB GLN A 51 10.046 13.249 -5.252 1.00 74.44 C ATOM 826 CG GLN A 51 8.642 12.791 -5.695 1.00 4.24 C ATOM 827 CD GLN A 51 7.778 13.932 -6.218 1.00 23.41 C ATOM 828 OE1 GLN A 51 7.069 14.588 -5.457 1.00 51.11 O ATOM 829 NE2 GLN A 51 7.840 14.192 -7.511 1.00 13.13 N ATOM 0 H GLN A 51 10.275 10.281 -5.419 1.00 70.23 H new ATOM 0 HA GLN A 51 11.941 12.529 -4.523 1.00 34.41 H new ATOM 0 HB2 GLN A 51 9.938 14.033 -4.502 1.00 74.44 H new ATOM 0 HB3 GLN A 51 10.556 13.693 -6.107 1.00 74.44 H new ATOM 0 HG2 GLN A 51 8.742 12.033 -6.472 1.00 4.24 H new ATOM 0 HG3 GLN A 51 8.138 12.318 -4.852 1.00 4.24 H new ATOM 0 HE21 GLN A 51 8.438 13.629 -8.116 1.00 13.13 H new ATOM 0 HE22 GLN A 51 7.290 14.956 -7.905 1.00 13.13 H new ATOM 838 N GLY A 52 11.203 11.918 -2.229 1.00 74.43 N ATOM 839 CA GLY A 52 10.908 11.453 -0.867 1.00 63.32 C ATOM 840 C GLY A 52 12.192 11.303 -0.058 1.00 71.33 C ATOM 841 O GLY A 52 12.774 10.214 -0.010 1.00 41.32 O ATOM 0 H GLY A 52 12.047 12.487 -2.292 1.00 74.43 H new ATOM 0 HA2 GLY A 52 10.241 12.160 -0.373 1.00 63.32 H new ATOM 0 HA3 GLY A 52 10.385 10.498 -0.909 1.00 63.32 H new ATOM 845 N CYS A 53 12.651 12.415 0.548 1.00 12.00 N ATOM 846 CA CYS A 53 13.944 12.474 1.267 1.00 23.15 C ATOM 847 C CYS A 53 13.894 11.726 2.615 1.00 62.41 C ATOM 848 O CYS A 53 14.914 11.208 3.091 1.00 1.22 O ATOM 849 CB CYS A 53 14.344 13.940 1.508 1.00 50.34 C ATOM 850 SG CYS A 53 14.318 14.970 0.024 1.00 14.34 S ATOM 0 H CYS A 53 12.139 13.297 0.555 1.00 12.00 H new ATOM 0 HA CYS A 53 14.687 11.981 0.640 1.00 23.15 H new ATOM 0 HB2 CYS A 53 13.670 14.372 2.248 1.00 50.34 H new ATOM 0 HB3 CYS A 53 15.346 13.966 1.937 1.00 50.34 H new ATOM 0 HG CYS A 53 13.086 15.216 -0.312 1.00 14.34 H new ATOM 856 N LYS A 54 12.705 11.714 3.241 1.00 52.11 N ATOM 857 CA LYS A 54 12.479 11.032 4.528 1.00 32.14 C ATOM 858 C LYS A 54 11.842 9.647 4.258 1.00 53.23 C ATOM 859 O LYS A 54 12.576 8.712 3.919 1.00 23.44 O ATOM 860 CB LYS A 54 11.650 11.953 5.476 1.00 51.44 C ATOM 861 CG LYS A 54 11.223 11.336 6.834 1.00 1.24 C ATOM 862 CD LYS A 54 12.390 10.761 7.659 1.00 24.32 C ATOM 863 CE LYS A 54 11.909 10.142 8.980 1.00 24.23 C ATOM 864 NZ LYS A 54 10.923 9.035 8.762 1.00 71.02 N ATOM 0 H LYS A 54 11.874 12.176 2.870 1.00 52.11 H new ATOM 0 HA LYS A 54 13.417 10.844 5.051 1.00 32.14 H new ATOM 0 HB2 LYS A 54 12.234 12.851 5.677 1.00 51.44 H new ATOM 0 HB3 LYS A 54 10.751 12.269 4.946 1.00 51.44 H new ATOM 0 HG2 LYS A 54 10.717 12.100 7.424 1.00 1.24 H new ATOM 0 HG3 LYS A 54 10.498 10.543 6.649 1.00 1.24 H new ATOM 0 HD2 LYS A 54 12.911 10.004 7.072 1.00 24.32 H new ATOM 0 HD3 LYS A 54 13.110 11.552 7.870 1.00 24.32 H new ATOM 0 HE2 LYS A 54 12.767 9.758 9.533 1.00 24.23 H new ATOM 0 HE3 LYS A 54 11.453 10.916 9.597 1.00 24.23 H new ATOM 0 HZ1 LYS A 54 10.794 8.506 9.648 1.00 71.02 H new ATOM 0 HZ2 LYS A 54 10.011 9.436 8.462 1.00 71.02 H new ATOM 0 HZ3 LYS A 54 11.278 8.394 8.024 1.00 71.02 H new ATOM 878 N ARG A 55 10.504 9.495 4.387 1.00 10.42 N ATOM 879 CA ARG A 55 9.831 8.209 4.100 1.00 12.53 C ATOM 880 C ARG A 55 8.352 8.450 3.759 1.00 42.23 C ATOM 881 O ARG A 55 7.751 9.447 4.183 1.00 53.30 O ATOM 882 CB ARG A 55 9.983 7.207 5.299 1.00 52.21 C ATOM 883 CG ARG A 55 9.680 5.710 4.967 1.00 33.10 C ATOM 884 CD ARG A 55 10.662 5.117 3.932 1.00 55.20 C ATOM 885 NE ARG A 55 10.404 3.685 3.635 1.00 5.22 N ATOM 886 CZ ARG A 55 11.171 2.910 2.830 1.00 11.45 C ATOM 887 NH1 ARG A 55 12.257 3.396 2.229 1.00 2.14 N ATOM 888 NH2 ARG A 55 10.864 1.629 2.669 1.00 61.24 N ATOM 0 H ARG A 55 9.875 10.240 4.685 1.00 10.42 H new ATOM 0 HA ARG A 55 10.314 7.753 3.235 1.00 12.53 H new ATOM 0 HB2 ARG A 55 11.001 7.277 5.682 1.00 52.21 H new ATOM 0 HB3 ARG A 55 9.318 7.525 6.102 1.00 52.21 H new ATOM 0 HG2 ARG A 55 9.727 5.122 5.884 1.00 33.10 H new ATOM 0 HG3 ARG A 55 8.662 5.626 4.586 1.00 33.10 H new ATOM 0 HD2 ARG A 55 10.596 5.691 3.008 1.00 55.20 H new ATOM 0 HD3 ARG A 55 11.681 5.227 4.303 1.00 55.20 H new ATOM 0 HE ARG A 55 9.589 3.252 4.069 1.00 5.22 H new ATOM 0 HH11 ARG A 55 12.526 4.370 2.371 1.00 2.14 H new ATOM 0 HH12 ARG A 55 12.819 2.794 1.627 1.00 2.14 H new ATOM 0 HH21 ARG A 55 10.056 1.234 3.149 1.00 61.24 H new ATOM 0 HH22 ARG A 55 11.436 1.039 2.065 1.00 61.24 H new ATOM 902 N SER A 56 7.789 7.538 2.981 1.00 25.25 N ATOM 903 CA SER A 56 6.362 7.516 2.662 1.00 64.25 C ATOM 904 C SER A 56 5.595 6.695 3.696 1.00 5.53 C ATOM 905 O SER A 56 6.154 5.766 4.291 1.00 32.01 O ATOM 906 CB SER A 56 6.185 6.900 1.273 1.00 14.33 C ATOM 907 OG SER A 56 6.723 5.577 1.219 1.00 2.44 O ATOM 0 H SER A 56 8.314 6.780 2.545 1.00 25.25 H new ATOM 0 HA SER A 56 5.969 8.533 2.676 1.00 64.25 H new ATOM 0 HB2 SER A 56 5.126 6.875 1.016 1.00 14.33 H new ATOM 0 HB3 SER A 56 6.678 7.526 0.530 1.00 14.33 H new ATOM 0 HG SER A 56 6.122 4.960 1.687 1.00 2.44 H new ATOM 913 N ARG A 57 4.309 7.005 3.872 1.00 61.15 N ATOM 914 CA ARG A 57 3.419 6.234 4.743 1.00 73.15 C ATOM 915 C ARG A 57 2.164 5.865 3.934 1.00 0.03 C ATOM 916 O ARG A 57 1.339 6.731 3.649 1.00 14.34 O ATOM 917 CB ARG A 57 3.078 7.077 6.008 1.00 3.35 C ATOM 918 CG ARG A 57 2.357 6.301 7.126 1.00 53.35 C ATOM 919 CD ARG A 57 2.171 7.131 8.411 1.00 3.34 C ATOM 920 NE ARG A 57 3.460 7.533 9.017 1.00 12.44 N ATOM 921 CZ ARG A 57 3.725 7.574 10.340 1.00 34.11 C ATOM 922 NH1 ARG A 57 2.804 7.228 11.242 1.00 63.42 N ATOM 923 NH2 ARG A 57 4.937 7.928 10.764 1.00 4.33 N ATOM 0 H ARG A 57 3.855 7.796 3.416 1.00 61.15 H new ATOM 0 HA ARG A 57 3.894 5.315 5.086 1.00 73.15 H new ATOM 0 HB2 ARG A 57 4.002 7.492 6.411 1.00 3.35 H new ATOM 0 HB3 ARG A 57 2.454 7.919 5.709 1.00 3.35 H new ATOM 0 HG2 ARG A 57 1.381 5.977 6.765 1.00 53.35 H new ATOM 0 HG3 ARG A 57 2.925 5.401 7.360 1.00 53.35 H new ATOM 0 HD2 ARG A 57 1.587 8.022 8.183 1.00 3.34 H new ATOM 0 HD3 ARG A 57 1.598 6.551 9.135 1.00 3.34 H new ATOM 0 HE ARG A 57 4.211 7.802 8.382 1.00 12.44 H new ATOM 0 HH11 ARG A 57 1.879 6.925 10.936 1.00 63.42 H new ATOM 0 HH12 ARG A 57 3.025 7.266 12.237 1.00 63.42 H new ATOM 0 HH21 ARG A 57 5.663 8.168 10.089 1.00 4.33 H new ATOM 0 HH22 ARG A 57 5.139 7.959 11.763 1.00 4.33 H new ATOM 937 N THR A 58 2.033 4.575 3.542 1.00 14.03 N ATOM 938 CA THR A 58 0.891 4.102 2.735 1.00 53.25 C ATOM 939 C THR A 58 -0.157 3.468 3.648 1.00 72.04 C ATOM 940 O THR A 58 0.182 2.723 4.576 1.00 72.00 O ATOM 941 CB THR A 58 1.305 3.061 1.637 1.00 44.14 C ATOM 942 OG1 THR A 58 2.426 3.559 0.902 1.00 62.35 O ATOM 943 CG2 THR A 58 0.153 2.760 0.650 1.00 73.50 C ATOM 0 H THR A 58 2.707 3.845 3.774 1.00 14.03 H new ATOM 0 HA THR A 58 0.486 4.975 2.223 1.00 53.25 H new ATOM 0 HB THR A 58 1.560 2.134 2.150 1.00 44.14 H new ATOM 0 HG1 THR A 58 3.203 3.626 1.496 1.00 62.35 H new ATOM 0 HG21 THR A 58 0.489 2.034 -0.091 1.00 73.50 H new ATOM 0 HG22 THR A 58 -0.698 2.353 1.197 1.00 73.50 H new ATOM 0 HG23 THR A 58 -0.145 3.680 0.147 1.00 73.50 H new ATOM 951 N SER A 59 -1.421 3.768 3.370 1.00 41.03 N ATOM 952 CA SER A 59 -2.560 3.214 4.084 1.00 62.35 C ATOM 953 C SER A 59 -3.560 2.654 3.056 1.00 55.21 C ATOM 954 O SER A 59 -4.069 3.399 2.225 1.00 75.14 O ATOM 955 CB SER A 59 -3.191 4.321 4.967 1.00 34.55 C ATOM 956 OG SER A 59 -2.285 4.770 5.970 1.00 0.22 O ATOM 0 H SER A 59 -1.685 4.416 2.628 1.00 41.03 H new ATOM 0 HA SER A 59 -2.256 2.399 4.741 1.00 62.35 H new ATOM 0 HB2 SER A 59 -3.488 5.162 4.341 1.00 34.55 H new ATOM 0 HB3 SER A 59 -4.097 3.939 5.438 1.00 34.55 H new ATOM 0 HG SER A 59 -2.321 4.163 6.738 1.00 0.22 H new ATOM 962 N ILE A 60 -3.828 1.336 3.117 1.00 71.01 N ATOM 963 CA ILE A 60 -4.753 0.637 2.185 1.00 33.14 C ATOM 964 C ILE A 60 -5.887 -0.025 2.988 1.00 40.54 C ATOM 965 O ILE A 60 -5.624 -0.581 4.060 1.00 64.42 O ATOM 966 CB ILE A 60 -3.997 -0.451 1.323 1.00 73.13 C ATOM 967 CG1 ILE A 60 -2.936 0.224 0.395 1.00 13.24 C ATOM 968 CG2 ILE A 60 -4.977 -1.321 0.500 1.00 73.53 C ATOM 969 CD1 ILE A 60 -2.230 -0.717 -0.565 1.00 63.21 C ATOM 0 H ILE A 60 -3.411 0.718 3.814 1.00 71.01 H new ATOM 0 HA ILE A 60 -5.167 1.376 1.498 1.00 33.14 H new ATOM 0 HB ILE A 60 -3.481 -1.117 2.015 1.00 73.13 H new ATOM 0 HG12 ILE A 60 -3.427 1.007 -0.183 1.00 13.24 H new ATOM 0 HG13 ILE A 60 -2.187 0.711 1.019 1.00 13.24 H new ATOM 0 HG21 ILE A 60 -4.415 -2.055 -0.077 1.00 73.53 H new ATOM 0 HG22 ILE A 60 -5.661 -1.836 1.175 1.00 73.53 H new ATOM 0 HG23 ILE A 60 -5.547 -0.685 -0.178 1.00 73.53 H new ATOM 0 HD11 ILE A 60 -1.514 -0.155 -1.165 1.00 63.21 H new ATOM 0 HD12 ILE A 60 -1.705 -1.487 0.000 1.00 63.21 H new ATOM 0 HD13 ILE A 60 -2.964 -1.186 -1.221 1.00 63.21 H new ATOM 981 N THR A 61 -7.135 0.052 2.465 1.00 23.11 N ATOM 982 CA THR A 61 -8.328 -0.535 3.094 1.00 64.31 C ATOM 983 C THR A 61 -8.125 -2.039 3.412 1.00 0.14 C ATOM 984 O THR A 61 -8.121 -2.888 2.519 1.00 1.12 O ATOM 985 CB THR A 61 -9.579 -0.338 2.177 1.00 73.04 C ATOM 986 OG1 THR A 61 -9.759 1.059 1.902 1.00 50.21 O ATOM 987 CG2 THR A 61 -10.874 -0.905 2.795 1.00 62.03 C ATOM 0 H THR A 61 -7.336 0.529 1.586 1.00 23.11 H new ATOM 0 HA THR A 61 -8.494 -0.016 4.038 1.00 64.31 H new ATOM 0 HB THR A 61 -9.389 -0.892 1.258 1.00 73.04 H new ATOM 0 HG1 THR A 61 -10.320 1.166 1.106 1.00 50.21 H new ATOM 0 HG21 THR A 61 -11.707 -0.738 2.112 1.00 62.03 H new ATOM 0 HG22 THR A 61 -10.756 -1.975 2.969 1.00 62.03 H new ATOM 0 HG23 THR A 61 -11.075 -0.404 3.742 1.00 62.03 H new ATOM 995 N ALA A 62 -7.926 -2.321 4.702 1.00 74.30 N ATOM 996 CA ALA A 62 -7.687 -3.661 5.228 1.00 71.33 C ATOM 997 C ALA A 62 -8.449 -3.817 6.542 1.00 2.41 C ATOM 998 O ALA A 62 -7.996 -3.318 7.570 1.00 45.40 O ATOM 999 CB ALA A 62 -6.181 -3.884 5.418 1.00 15.50 C ATOM 0 H ALA A 62 -7.927 -1.602 5.426 1.00 74.30 H new ATOM 0 HA ALA A 62 -8.045 -4.415 4.527 1.00 71.33 H new ATOM 0 HB1 ALA A 62 -6.008 -4.886 5.811 1.00 15.50 H new ATOM 0 HB2 ALA A 62 -5.674 -3.778 4.459 1.00 15.50 H new ATOM 0 HB3 ALA A 62 -5.790 -3.147 6.119 1.00 15.50 H new ATOM 1005 N ARG A 63 -9.636 -4.462 6.503 1.00 44.41 N ATOM 1006 CA ARG A 63 -10.576 -4.461 7.650 1.00 32.01 C ATOM 1007 C ARG A 63 -10.618 -5.817 8.380 1.00 70.11 C ATOM 1008 O ARG A 63 -10.664 -5.849 9.620 1.00 31.34 O ATOM 1009 CB ARG A 63 -11.993 -3.983 7.210 1.00 34.34 C ATOM 1010 CG ARG A 63 -12.685 -4.827 6.132 1.00 71.35 C ATOM 1011 CD ARG A 63 -14.021 -4.222 5.664 1.00 73.10 C ATOM 1012 NE ARG A 63 -14.986 -4.039 6.766 1.00 12.31 N ATOM 1013 CZ ARG A 63 -16.324 -3.961 6.629 1.00 32.33 C ATOM 1014 NH1 ARG A 63 -16.908 -4.055 5.428 1.00 51.31 N ATOM 1015 NH2 ARG A 63 -17.074 -3.793 7.712 1.00 53.00 N ATOM 0 H ARG A 63 -9.966 -4.988 5.694 1.00 44.41 H new ATOM 0 HA ARG A 63 -10.198 -3.743 8.378 1.00 32.01 H new ATOM 0 HB2 ARG A 63 -12.635 -3.957 8.090 1.00 34.34 H new ATOM 0 HB3 ARG A 63 -11.912 -2.959 6.845 1.00 34.34 H new ATOM 0 HG2 ARG A 63 -12.019 -4.930 5.275 1.00 71.35 H new ATOM 0 HG3 ARG A 63 -12.862 -5.830 6.521 1.00 71.35 H new ATOM 0 HD2 ARG A 63 -13.832 -3.259 5.190 1.00 73.10 H new ATOM 0 HD3 ARG A 63 -14.461 -4.869 4.906 1.00 73.10 H new ATOM 0 HE ARG A 63 -14.608 -3.965 7.711 1.00 12.31 H new ATOM 0 HH11 ARG A 63 -16.338 -4.189 4.593 1.00 51.31 H new ATOM 0 HH12 ARG A 63 -17.923 -3.993 5.348 1.00 51.31 H new ATOM 0 HH21 ARG A 63 -16.636 -3.725 8.630 1.00 53.00 H new ATOM 0 HH22 ARG A 63 -18.088 -3.732 7.625 1.00 53.00 H new ATOM 1029 N THR A 64 -10.612 -6.942 7.636 1.00 60.00 N ATOM 1030 CA THR A 64 -10.565 -8.296 8.249 1.00 43.04 C ATOM 1031 C THR A 64 -9.150 -8.888 8.134 1.00 54.33 C ATOM 1032 O THR A 64 -8.241 -8.228 7.611 1.00 63.31 O ATOM 1033 CB THR A 64 -11.618 -9.275 7.624 1.00 34.50 C ATOM 1034 OG1 THR A 64 -11.191 -9.745 6.333 1.00 63.12 O ATOM 1035 CG2 THR A 64 -13.004 -8.612 7.497 1.00 41.35 C ATOM 0 H THR A 64 -10.639 -6.946 6.616 1.00 60.00 H new ATOM 0 HA THR A 64 -10.823 -8.179 9.302 1.00 43.04 H new ATOM 0 HB THR A 64 -11.699 -10.124 8.302 1.00 34.50 H new ATOM 0 HG1 THR A 64 -11.866 -10.355 5.967 1.00 63.12 H new ATOM 0 HG21 THR A 64 -13.708 -9.321 7.060 1.00 41.35 H new ATOM 0 HG22 THR A 64 -13.356 -8.313 8.484 1.00 41.35 H new ATOM 0 HG23 THR A 64 -12.930 -7.733 6.857 1.00 41.35 H new ATOM 1043 N LYS A 65 -8.977 -10.144 8.618 1.00 40.22 N ATOM 1044 CA LYS A 65 -7.680 -10.842 8.616 1.00 25.35 C ATOM 1045 C LYS A 65 -7.145 -11.051 7.183 1.00 71.30 C ATOM 1046 O LYS A 65 -5.932 -11.011 6.977 1.00 72.20 O ATOM 1047 CB LYS A 65 -7.794 -12.199 9.362 1.00 63.31 C ATOM 1048 CG LYS A 65 -8.661 -13.266 8.654 1.00 2.24 C ATOM 1049 CD LYS A 65 -8.850 -14.545 9.500 1.00 10.43 C ATOM 1050 CE LYS A 65 -9.639 -14.295 10.795 1.00 32.34 C ATOM 1051 NZ LYS A 65 -9.701 -15.501 11.669 1.00 1.23 N ATOM 0 H LYS A 65 -9.736 -10.695 9.019 1.00 40.22 H new ATOM 0 HA LYS A 65 -6.964 -10.211 9.142 1.00 25.35 H new ATOM 0 HB2 LYS A 65 -6.792 -12.603 9.504 1.00 63.31 H new ATOM 0 HB3 LYS A 65 -8.208 -12.017 10.354 1.00 63.31 H new ATOM 0 HG2 LYS A 65 -9.638 -12.840 8.426 1.00 2.24 H new ATOM 0 HG3 LYS A 65 -8.198 -13.530 7.703 1.00 2.24 H new ATOM 0 HD2 LYS A 65 -9.369 -15.295 8.904 1.00 10.43 H new ATOM 0 HD3 LYS A 65 -7.872 -14.957 9.750 1.00 10.43 H new ATOM 0 HE2 LYS A 65 -9.177 -13.475 11.345 1.00 32.34 H new ATOM 0 HE3 LYS A 65 -10.652 -13.980 10.544 1.00 32.34 H new ATOM 0 HZ1 LYS A 65 -10.244 -15.280 12.528 1.00 1.23 H new ATOM 0 HZ2 LYS A 65 -10.166 -16.278 11.157 1.00 1.23 H new ATOM 0 HZ3 LYS A 65 -8.737 -15.788 11.933 1.00 1.23 H new ATOM 1065 N LYS A 66 -8.067 -11.233 6.200 1.00 24.23 N ATOM 1066 CA LYS A 66 -7.698 -11.451 4.785 1.00 21.42 C ATOM 1067 C LYS A 66 -7.054 -10.199 4.183 1.00 4.41 C ATOM 1068 O LYS A 66 -5.939 -10.261 3.669 1.00 62.42 O ATOM 1069 CB LYS A 66 -8.929 -11.861 3.926 1.00 54.00 C ATOM 1070 CG LYS A 66 -9.454 -13.284 4.159 1.00 70.55 C ATOM 1071 CD LYS A 66 -10.604 -13.636 3.190 1.00 24.33 C ATOM 1072 CE LYS A 66 -11.105 -15.076 3.350 1.00 1.24 C ATOM 1073 NZ LYS A 66 -11.657 -15.327 4.704 1.00 62.00 N ATOM 0 H LYS A 66 -9.073 -11.232 6.368 1.00 24.23 H new ATOM 0 HA LYS A 66 -6.976 -12.268 4.771 1.00 21.42 H new ATOM 0 HB2 LYS A 66 -9.738 -11.157 4.123 1.00 54.00 H new ATOM 0 HB3 LYS A 66 -8.666 -11.758 2.873 1.00 54.00 H new ATOM 0 HG2 LYS A 66 -8.640 -13.997 4.031 1.00 70.55 H new ATOM 0 HG3 LYS A 66 -9.803 -13.379 5.187 1.00 70.55 H new ATOM 0 HD2 LYS A 66 -11.434 -12.948 3.355 1.00 24.33 H new ATOM 0 HD3 LYS A 66 -10.266 -13.487 2.165 1.00 24.33 H new ATOM 0 HE2 LYS A 66 -11.873 -15.278 2.603 1.00 1.24 H new ATOM 0 HE3 LYS A 66 -10.285 -15.768 3.159 1.00 1.24 H new ATOM 0 HZ1 LYS A 66 -12.045 -16.291 4.747 1.00 62.00 H new ATOM 0 HZ2 LYS A 66 -10.901 -15.226 5.411 1.00 62.00 H new ATOM 0 HZ3 LYS A 66 -12.412 -14.640 4.904 1.00 62.00 H new ATOM 1087 N GLU A 67 -7.756 -9.060 4.265 1.00 51.22 N ATOM 1088 CA GLU A 67 -7.258 -7.794 3.702 1.00 71.53 C ATOM 1089 C GLU A 67 -5.976 -7.347 4.434 1.00 34.12 C ATOM 1090 O GLU A 67 -5.048 -6.805 3.814 1.00 31.40 O ATOM 1091 CB GLU A 67 -8.336 -6.688 3.749 1.00 23.32 C ATOM 1092 CG GLU A 67 -9.631 -6.953 2.947 1.00 45.41 C ATOM 1093 CD GLU A 67 -10.635 -7.847 3.683 1.00 13.22 C ATOM 1094 OE1 GLU A 67 -11.339 -7.334 4.575 1.00 63.23 O ATOM 1095 OE2 GLU A 67 -10.716 -9.054 3.397 1.00 52.40 O ATOM 0 H GLU A 67 -8.669 -8.988 4.715 1.00 51.22 H new ATOM 0 HA GLU A 67 -7.016 -7.966 2.653 1.00 71.53 H new ATOM 0 HB2 GLU A 67 -8.608 -6.521 4.791 1.00 23.32 H new ATOM 0 HB3 GLU A 67 -7.891 -5.762 3.383 1.00 23.32 H new ATOM 0 HG2 GLU A 67 -10.107 -6.000 2.716 1.00 45.41 H new ATOM 0 HG3 GLU A 67 -9.371 -7.419 1.996 1.00 45.41 H new ATOM 1102 N ALA A 68 -5.924 -7.634 5.750 1.00 64.34 N ATOM 1103 CA ALA A 68 -4.762 -7.338 6.602 1.00 71.43 C ATOM 1104 C ALA A 68 -3.522 -8.137 6.170 1.00 25.43 C ATOM 1105 O ALA A 68 -2.432 -7.579 6.056 1.00 44.52 O ATOM 1106 CB ALA A 68 -5.095 -7.630 8.069 1.00 11.21 C ATOM 0 H ALA A 68 -6.692 -8.080 6.251 1.00 64.34 H new ATOM 0 HA ALA A 68 -4.529 -6.279 6.489 1.00 71.43 H new ATOM 0 HB1 ALA A 68 -4.228 -7.407 8.690 1.00 11.21 H new ATOM 0 HB2 ALA A 68 -5.935 -7.009 8.382 1.00 11.21 H new ATOM 0 HB3 ALA A 68 -5.360 -8.681 8.180 1.00 11.21 H new ATOM 1112 N GLU A 69 -3.707 -9.448 5.911 1.00 3.43 N ATOM 1113 CA GLU A 69 -2.587 -10.355 5.571 1.00 40.03 C ATOM 1114 C GLU A 69 -2.058 -10.073 4.153 1.00 32.25 C ATOM 1115 O GLU A 69 -0.840 -10.019 3.938 1.00 2.42 O ATOM 1116 CB GLU A 69 -3.005 -11.859 5.750 1.00 13.24 C ATOM 1117 CG GLU A 69 -4.036 -12.405 4.742 1.00 23.40 C ATOM 1118 CD GLU A 69 -4.545 -13.819 5.071 1.00 33.24 C ATOM 1119 OE1 GLU A 69 -3.890 -14.806 4.681 1.00 73.44 O ATOM 1120 OE2 GLU A 69 -5.606 -13.955 5.725 1.00 61.03 O ATOM 0 H GLU A 69 -4.620 -9.903 5.930 1.00 3.43 H new ATOM 0 HA GLU A 69 -1.770 -10.161 6.266 1.00 40.03 H new ATOM 0 HB2 GLU A 69 -2.107 -12.474 5.688 1.00 13.24 H new ATOM 0 HB3 GLU A 69 -3.409 -11.985 6.755 1.00 13.24 H new ATOM 0 HG2 GLU A 69 -4.886 -11.724 4.703 1.00 23.40 H new ATOM 0 HG3 GLU A 69 -3.588 -12.413 3.748 1.00 23.40 H new ATOM 1127 N LYS A 70 -2.979 -9.828 3.201 1.00 52.42 N ATOM 1128 CA LYS A 70 -2.632 -9.752 1.776 1.00 2.13 C ATOM 1129 C LYS A 70 -2.040 -8.377 1.389 1.00 31.31 C ATOM 1130 O LYS A 70 -0.973 -8.328 0.770 1.00 52.43 O ATOM 1131 CB LYS A 70 -3.864 -10.121 0.904 1.00 12.31 C ATOM 1132 CG LYS A 70 -5.051 -9.136 0.940 1.00 23.22 C ATOM 1133 CD LYS A 70 -6.312 -9.682 0.228 1.00 41.41 C ATOM 1134 CE LYS A 70 -6.074 -10.023 -1.251 1.00 63.13 C ATOM 1135 NZ LYS A 70 -7.286 -10.630 -1.879 1.00 63.33 N ATOM 0 H LYS A 70 -3.969 -9.680 3.397 1.00 52.42 H new ATOM 0 HA LYS A 70 -1.846 -10.482 1.583 1.00 2.13 H new ATOM 0 HB2 LYS A 70 -3.533 -10.219 -0.130 1.00 12.31 H new ATOM 0 HB3 LYS A 70 -4.224 -11.101 1.218 1.00 12.31 H new ATOM 0 HG2 LYS A 70 -5.296 -8.909 1.978 1.00 23.22 H new ATOM 0 HG3 LYS A 70 -4.753 -8.199 0.470 1.00 23.22 H new ATOM 0 HD2 LYS A 70 -6.657 -10.575 0.749 1.00 41.41 H new ATOM 0 HD3 LYS A 70 -7.110 -8.943 0.300 1.00 41.41 H new ATOM 0 HE2 LYS A 70 -5.797 -9.119 -1.793 1.00 63.13 H new ATOM 0 HE3 LYS A 70 -5.235 -10.714 -1.335 1.00 63.13 H new ATOM 0 HZ1 LYS A 70 -7.209 -10.567 -2.914 1.00 63.33 H new ATOM 0 HZ2 LYS A 70 -7.360 -11.628 -1.597 1.00 63.33 H new ATOM 0 HZ3 LYS A 70 -8.134 -10.117 -1.563 1.00 63.33 H new ATOM 1149 N PHE A 71 -2.699 -7.270 1.805 1.00 34.12 N ATOM 1150 CA PHE A 71 -2.314 -5.900 1.381 1.00 15.23 C ATOM 1151 C PHE A 71 -1.057 -5.415 2.124 1.00 12.35 C ATOM 1152 O PHE A 71 -0.230 -4.700 1.543 1.00 75.44 O ATOM 1153 CB PHE A 71 -3.490 -4.894 1.569 1.00 0.42 C ATOM 1154 CG PHE A 71 -4.751 -5.210 0.741 1.00 33.30 C ATOM 1155 CD1 PHE A 71 -4.657 -5.779 -0.532 1.00 31.53 C ATOM 1156 CD2 PHE A 71 -6.032 -4.940 1.236 1.00 12.14 C ATOM 1157 CE1 PHE A 71 -5.795 -6.068 -1.273 1.00 4.21 C ATOM 1158 CE2 PHE A 71 -7.165 -5.231 0.487 1.00 74.21 C ATOM 1159 CZ PHE A 71 -7.043 -5.793 -0.763 1.00 61.41 C ATOM 0 H PHE A 71 -3.501 -7.298 2.435 1.00 34.12 H new ATOM 0 HA PHE A 71 -2.079 -5.945 0.318 1.00 15.23 H new ATOM 0 HB2 PHE A 71 -3.762 -4.869 2.624 1.00 0.42 H new ATOM 0 HB3 PHE A 71 -3.141 -3.896 1.306 1.00 0.42 H new ATOM 0 HD1 PHE A 71 -3.684 -5.997 -0.946 1.00 31.53 H new ATOM 0 HD2 PHE A 71 -6.141 -4.499 2.216 1.00 12.14 H new ATOM 0 HE1 PHE A 71 -5.700 -6.510 -2.254 1.00 4.21 H new ATOM 0 HE2 PHE A 71 -8.145 -5.015 0.887 1.00 74.21 H new ATOM 0 HZ PHE A 71 -7.926 -6.018 -1.343 1.00 61.41 H new ATOM 1169 N ALA A 72 -0.914 -5.826 3.402 1.00 33.15 N ATOM 1170 CA ALA A 72 0.284 -5.521 4.201 1.00 63.24 C ATOM 1171 C ALA A 72 1.522 -6.191 3.598 1.00 23.41 C ATOM 1172 O ALA A 72 2.582 -5.575 3.527 1.00 31.44 O ATOM 1173 CB ALA A 72 0.098 -5.955 5.652 1.00 30.43 C ATOM 0 H ALA A 72 -1.617 -6.371 3.900 1.00 33.15 H new ATOM 0 HA ALA A 72 0.432 -4.441 4.184 1.00 63.24 H new ATOM 0 HB1 ALA A 72 0.997 -5.718 6.221 1.00 30.43 H new ATOM 0 HB2 ALA A 72 -0.753 -5.428 6.083 1.00 30.43 H new ATOM 0 HB3 ALA A 72 -0.083 -7.029 5.690 1.00 30.43 H new ATOM 1179 N ALA A 73 1.349 -7.446 3.123 1.00 63.42 N ATOM 1180 CA ALA A 73 2.429 -8.209 2.468 1.00 21.33 C ATOM 1181 C ALA A 73 2.963 -7.457 1.235 1.00 2.50 C ATOM 1182 O ALA A 73 4.179 -7.269 1.098 1.00 30.14 O ATOM 1183 CB ALA A 73 1.937 -9.611 2.078 1.00 61.25 C ATOM 0 H ALA A 73 0.465 -7.951 3.183 1.00 63.42 H new ATOM 0 HA ALA A 73 3.249 -8.317 3.178 1.00 21.33 H new ATOM 0 HB1 ALA A 73 2.746 -10.160 1.596 1.00 61.25 H new ATOM 0 HB2 ALA A 73 1.618 -10.146 2.972 1.00 61.25 H new ATOM 0 HB3 ALA A 73 1.097 -9.523 1.388 1.00 61.25 H new ATOM 1189 N ILE A 74 2.021 -6.976 0.385 1.00 35.52 N ATOM 1190 CA ILE A 74 2.343 -6.199 -0.829 1.00 31.53 C ATOM 1191 C ILE A 74 3.120 -4.915 -0.455 1.00 33.01 C ATOM 1192 O ILE A 74 4.101 -4.571 -1.102 1.00 33.44 O ATOM 1193 CB ILE A 74 1.050 -5.787 -1.642 1.00 21.13 C ATOM 1194 CG1 ILE A 74 0.134 -7.014 -1.944 1.00 21.33 C ATOM 1195 CG2 ILE A 74 1.443 -5.075 -2.959 1.00 3.11 C ATOM 1196 CD1 ILE A 74 -1.221 -6.660 -2.556 1.00 24.24 C ATOM 0 H ILE A 74 1.021 -7.118 0.525 1.00 35.52 H new ATOM 0 HA ILE A 74 2.954 -6.846 -1.459 1.00 31.53 H new ATOM 0 HB ILE A 74 0.481 -5.098 -1.019 1.00 21.13 H new ATOM 0 HG12 ILE A 74 0.660 -7.686 -2.622 1.00 21.33 H new ATOM 0 HG13 ILE A 74 -0.033 -7.563 -1.017 1.00 21.33 H new ATOM 0 HG21 ILE A 74 0.542 -4.798 -3.506 1.00 3.11 H new ATOM 0 HG22 ILE A 74 2.018 -4.178 -2.730 1.00 3.11 H new ATOM 0 HG23 ILE A 74 2.046 -5.747 -3.570 1.00 3.11 H new ATOM 0 HD11 ILE A 74 -1.790 -7.573 -2.732 1.00 24.24 H new ATOM 0 HD12 ILE A 74 -1.772 -6.015 -1.872 1.00 24.24 H new ATOM 0 HD13 ILE A 74 -1.068 -6.139 -3.501 1.00 24.24 H new ATOM 1208 N LEU A 75 2.673 -4.240 0.627 1.00 1.25 N ATOM 1209 CA LEU A 75 3.261 -2.969 1.082 1.00 41.34 C ATOM 1210 C LEU A 75 4.694 -3.149 1.618 1.00 41.41 C ATOM 1211 O LEU A 75 5.549 -2.294 1.385 1.00 72.00 O ATOM 1212 CB LEU A 75 2.343 -2.286 2.134 1.00 10.32 C ATOM 1213 CG LEU A 75 1.002 -1.702 1.591 1.00 5.23 C ATOM 1214 CD1 LEU A 75 0.160 -1.069 2.730 1.00 31.32 C ATOM 1215 CD2 LEU A 75 1.280 -0.700 0.449 1.00 23.02 C ATOM 0 H LEU A 75 1.897 -4.563 1.205 1.00 1.25 H new ATOM 0 HA LEU A 75 3.333 -2.314 0.214 1.00 41.34 H new ATOM 0 HB2 LEU A 75 2.112 -3.013 2.912 1.00 10.32 H new ATOM 0 HB3 LEU A 75 2.903 -1.479 2.607 1.00 10.32 H new ATOM 0 HG LEU A 75 0.408 -2.518 1.181 1.00 5.23 H new ATOM 0 HD11 LEU A 75 -0.768 -0.671 2.319 1.00 31.32 H new ATOM 0 HD12 LEU A 75 -0.070 -1.828 3.477 1.00 31.32 H new ATOM 0 HD13 LEU A 75 0.726 -0.262 3.195 1.00 31.32 H new ATOM 0 HD21 LEU A 75 0.336 -0.300 0.079 1.00 23.02 H new ATOM 0 HD22 LEU A 75 1.898 0.116 0.823 1.00 23.02 H new ATOM 0 HD23 LEU A 75 1.802 -1.208 -0.362 1.00 23.02 H new ATOM 1227 N ILE A 76 4.965 -4.275 2.310 1.00 62.11 N ATOM 1228 CA ILE A 76 6.328 -4.594 2.783 1.00 5.20 C ATOM 1229 C ILE A 76 7.242 -4.910 1.565 1.00 71.31 C ATOM 1230 O ILE A 76 8.421 -4.570 1.579 1.00 24.23 O ATOM 1231 CB ILE A 76 6.320 -5.759 3.878 1.00 50.41 C ATOM 1232 CG1 ILE A 76 6.000 -5.216 5.324 1.00 43.51 C ATOM 1233 CG2 ILE A 76 7.655 -6.545 3.919 1.00 54.34 C ATOM 1234 CD1 ILE A 76 4.714 -4.430 5.484 1.00 64.31 C ATOM 0 H ILE A 76 4.263 -4.974 2.552 1.00 62.11 H new ATOM 0 HA ILE A 76 6.741 -3.723 3.292 1.00 5.20 H new ATOM 0 HB ILE A 76 5.525 -6.437 3.568 1.00 50.41 H new ATOM 0 HG12 ILE A 76 5.968 -6.065 6.007 1.00 43.51 H new ATOM 0 HG13 ILE A 76 6.828 -4.582 5.641 1.00 43.51 H new ATOM 0 HG21 ILE A 76 7.595 -7.324 4.679 1.00 54.34 H new ATOM 0 HG22 ILE A 76 7.839 -7.001 2.946 1.00 54.34 H new ATOM 0 HG23 ILE A 76 8.471 -5.864 4.161 1.00 54.34 H new ATOM 0 HD11 ILE A 76 4.608 -4.112 6.521 1.00 64.31 H new ATOM 0 HD12 ILE A 76 4.741 -3.553 4.837 1.00 64.31 H new ATOM 0 HD13 ILE A 76 3.867 -5.058 5.209 1.00 64.31 H new ATOM 1246 N LYS A 77 6.661 -5.505 0.495 1.00 52.21 N ATOM 1247 CA LYS A 77 7.380 -5.764 -0.778 1.00 3.33 C ATOM 1248 C LYS A 77 7.742 -4.434 -1.505 1.00 30.44 C ATOM 1249 O LYS A 77 8.897 -4.241 -1.918 1.00 73.24 O ATOM 1250 CB LYS A 77 6.538 -6.719 -1.705 1.00 32.24 C ATOM 1251 CG LYS A 77 6.837 -8.253 -1.627 1.00 0.14 C ATOM 1252 CD LYS A 77 6.438 -8.971 -0.304 1.00 53.03 C ATOM 1253 CE LYS A 77 7.426 -8.761 0.861 1.00 2.42 C ATOM 1254 NZ LYS A 77 8.812 -9.173 0.511 1.00 1.23 N ATOM 0 H LYS A 77 5.690 -5.817 0.488 1.00 52.21 H new ATOM 0 HA LYS A 77 8.318 -6.267 -0.542 1.00 3.33 H new ATOM 0 HB2 LYS A 77 5.484 -6.570 -1.472 1.00 32.24 H new ATOM 0 HB3 LYS A 77 6.684 -6.400 -2.737 1.00 32.24 H new ATOM 0 HG2 LYS A 77 6.320 -8.744 -2.451 1.00 0.14 H new ATOM 0 HG3 LYS A 77 7.905 -8.401 -1.787 1.00 0.14 H new ATOM 0 HD2 LYS A 77 5.453 -8.618 0.003 1.00 53.03 H new ATOM 0 HD3 LYS A 77 6.347 -10.040 -0.499 1.00 53.03 H new ATOM 0 HE2 LYS A 77 7.424 -7.710 1.150 1.00 2.42 H new ATOM 0 HE3 LYS A 77 7.088 -9.330 1.727 1.00 2.42 H new ATOM 0 HZ1 LYS A 77 9.375 -9.273 1.380 1.00 1.23 H new ATOM 0 HZ2 LYS A 77 8.787 -10.083 0.009 1.00 1.23 H new ATOM 0 HZ3 LYS A 77 9.245 -8.452 -0.101 1.00 1.23 H new ATOM 1268 N VAL A 78 6.748 -3.517 -1.617 1.00 31.23 N ATOM 1269 CA VAL A 78 6.915 -2.186 -2.242 1.00 41.23 C ATOM 1270 C VAL A 78 8.027 -1.399 -1.523 1.00 4.25 C ATOM 1271 O VAL A 78 8.949 -0.870 -2.155 1.00 10.53 O ATOM 1272 CB VAL A 78 5.549 -1.383 -2.209 1.00 42.32 C ATOM 1273 CG1 VAL A 78 5.717 0.094 -2.630 1.00 50.23 C ATOM 1274 CG2 VAL A 78 4.477 -2.083 -3.084 1.00 75.32 C ATOM 0 H VAL A 78 5.803 -3.684 -1.273 1.00 31.23 H new ATOM 0 HA VAL A 78 7.205 -2.321 -3.284 1.00 41.23 H new ATOM 0 HB VAL A 78 5.211 -1.381 -1.173 1.00 42.32 H new ATOM 0 HG11 VAL A 78 4.750 0.596 -2.589 1.00 50.23 H new ATOM 0 HG12 VAL A 78 6.412 0.589 -1.952 1.00 50.23 H new ATOM 0 HG13 VAL A 78 6.107 0.140 -3.647 1.00 50.23 H new ATOM 0 HG21 VAL A 78 3.548 -1.514 -3.046 1.00 75.32 H new ATOM 0 HG22 VAL A 78 4.827 -2.137 -4.115 1.00 75.32 H new ATOM 0 HG23 VAL A 78 4.301 -3.091 -2.707 1.00 75.32 H new ATOM 1284 N TYR A 79 7.946 -1.396 -0.185 1.00 70.41 N ATOM 1285 CA TYR A 79 8.901 -0.705 0.692 1.00 21.35 C ATOM 1286 C TYR A 79 10.254 -1.433 0.759 1.00 64.02 C ATOM 1287 O TYR A 79 11.260 -0.805 1.097 1.00 62.45 O ATOM 1288 CB TYR A 79 8.298 -0.545 2.114 1.00 42.01 C ATOM 1289 CG TYR A 79 7.306 0.615 2.270 1.00 3.53 C ATOM 1290 CD1 TYR A 79 6.147 0.695 1.492 1.00 54.33 C ATOM 1291 CD2 TYR A 79 7.534 1.634 3.203 1.00 75.24 C ATOM 1292 CE1 TYR A 79 5.262 1.744 1.637 1.00 11.24 C ATOM 1293 CE2 TYR A 79 6.653 2.680 3.345 1.00 10.20 C ATOM 1294 CZ TYR A 79 5.522 2.727 2.563 1.00 61.31 C ATOM 1295 OH TYR A 79 4.651 3.773 2.703 1.00 71.30 O ATOM 0 H TYR A 79 7.206 -1.879 0.325 1.00 70.41 H new ATOM 0 HA TYR A 79 9.087 0.281 0.267 1.00 21.35 H new ATOM 0 HB2 TYR A 79 7.795 -1.473 2.386 1.00 42.01 H new ATOM 0 HB3 TYR A 79 9.113 -0.405 2.824 1.00 42.01 H new ATOM 0 HD1 TYR A 79 5.941 -0.077 0.765 1.00 54.33 H new ATOM 0 HD2 TYR A 79 8.418 1.598 3.822 1.00 75.24 H new ATOM 0 HE1 TYR A 79 4.372 1.793 1.028 1.00 11.24 H new ATOM 0 HE2 TYR A 79 6.848 3.460 4.066 1.00 10.20 H new ATOM 0 HH TYR A 79 4.833 4.240 3.545 1.00 71.30 H new ATOM 1305 N ALA A 80 10.274 -2.747 0.453 1.00 33.33 N ATOM 1306 CA ALA A 80 11.526 -3.532 0.429 1.00 12.41 C ATOM 1307 C ALA A 80 12.404 -3.108 -0.749 1.00 21.14 C ATOM 1308 O ALA A 80 13.628 -3.058 -0.635 1.00 13.34 O ATOM 1309 CB ALA A 80 11.242 -5.039 0.379 1.00 3.11 C ATOM 0 H ALA A 80 9.440 -3.286 0.220 1.00 33.33 H new ATOM 0 HA ALA A 80 12.065 -3.328 1.354 1.00 12.41 H new ATOM 0 HB1 ALA A 80 12.184 -5.586 0.362 1.00 3.11 H new ATOM 0 HB2 ALA A 80 10.668 -5.331 1.259 1.00 3.11 H new ATOM 0 HB3 ALA A 80 10.671 -5.272 -0.520 1.00 3.11 H new ATOM 1315 N GLU A 81 11.751 -2.794 -1.882 1.00 73.01 N ATOM 1316 CA GLU A 81 12.444 -2.276 -3.081 1.00 73.20 C ATOM 1317 C GLU A 81 12.890 -0.805 -2.889 1.00 42.11 C ATOM 1318 O GLU A 81 13.771 -0.316 -3.605 1.00 2.03 O ATOM 1319 CB GLU A 81 11.533 -2.403 -4.333 1.00 30.45 C ATOM 1320 CG GLU A 81 10.870 -3.789 -4.518 1.00 11.54 C ATOM 1321 CD GLU A 81 11.858 -4.971 -4.421 1.00 71.13 C ATOM 1322 OE1 GLU A 81 12.603 -5.218 -5.395 1.00 33.42 O ATOM 1323 OE2 GLU A 81 11.896 -5.658 -3.371 1.00 5.41 O ATOM 0 H GLU A 81 10.742 -2.889 -1.995 1.00 73.01 H new ATOM 0 HA GLU A 81 13.339 -2.880 -3.231 1.00 73.20 H new ATOM 0 HB2 GLU A 81 10.750 -1.647 -4.273 1.00 30.45 H new ATOM 0 HB3 GLU A 81 12.126 -2.179 -5.220 1.00 30.45 H new ATOM 0 HG2 GLU A 81 10.094 -3.914 -3.763 1.00 11.54 H new ATOM 0 HG3 GLU A 81 10.377 -3.819 -5.490 1.00 11.54 H new ATOM 1330 N LEU A 82 12.253 -0.118 -1.923 1.00 51.40 N ATOM 1331 CA LEU A 82 12.537 1.296 -1.591 1.00 70.14 C ATOM 1332 C LEU A 82 13.455 1.421 -0.361 1.00 31.42 C ATOM 1333 O LEU A 82 13.987 2.504 -0.079 1.00 63.31 O ATOM 1334 CB LEU A 82 11.205 2.046 -1.331 1.00 52.32 C ATOM 1335 CG LEU A 82 10.213 2.068 -2.525 1.00 34.21 C ATOM 1336 CD1 LEU A 82 8.881 2.746 -2.144 1.00 4.42 C ATOM 1337 CD2 LEU A 82 10.862 2.724 -3.755 1.00 31.23 C ATOM 0 H LEU A 82 11.520 -0.529 -1.345 1.00 51.40 H new ATOM 0 HA LEU A 82 13.057 1.742 -2.439 1.00 70.14 H new ATOM 0 HB2 LEU A 82 10.709 1.586 -0.476 1.00 52.32 H new ATOM 0 HB3 LEU A 82 11.434 3.074 -1.051 1.00 52.32 H new ATOM 0 HG LEU A 82 9.974 1.037 -2.787 1.00 34.21 H new ATOM 0 HD11 LEU A 82 8.212 2.743 -3.004 1.00 4.42 H new ATOM 0 HD12 LEU A 82 8.417 2.201 -1.322 1.00 4.42 H new ATOM 0 HD13 LEU A 82 9.071 3.774 -1.836 1.00 4.42 H new ATOM 0 HD21 LEU A 82 10.151 2.730 -4.582 1.00 31.23 H new ATOM 0 HD22 LEU A 82 11.147 3.748 -3.514 1.00 31.23 H new ATOM 0 HD23 LEU A 82 11.749 2.159 -4.043 1.00 31.23 H new ATOM 1349 N GLY A 83 13.607 0.315 0.379 1.00 32.42 N ATOM 1350 CA GLY A 83 14.403 0.283 1.606 1.00 42.12 C ATOM 1351 C GLY A 83 15.124 -1.040 1.758 1.00 71.35 C ATOM 1352 O GLY A 83 15.740 -1.520 0.802 1.00 63.12 O ATOM 0 H GLY A 83 13.181 -0.581 0.141 1.00 32.42 H new ATOM 0 HA2 GLY A 83 15.129 1.096 1.593 1.00 42.12 H new ATOM 0 HA3 GLY A 83 13.755 0.448 2.467 1.00 42.12 H new ATOM 1356 N TYR A 84 15.057 -1.629 2.954 1.00 25.21 N ATOM 1357 CA TYR A 84 15.642 -2.946 3.240 1.00 13.41 C ATOM 1358 C TYR A 84 14.585 -4.036 3.055 1.00 20.45 C ATOM 1359 O TYR A 84 13.397 -3.736 2.972 1.00 30.20 O ATOM 1360 CB TYR A 84 16.200 -2.961 4.679 1.00 41.12 C ATOM 1361 CG TYR A 84 17.394 -2.018 4.892 1.00 33.21 C ATOM 1362 CD1 TYR A 84 17.214 -0.635 5.005 1.00 22.53 C ATOM 1363 CD2 TYR A 84 18.697 -2.507 4.981 1.00 73.01 C ATOM 1364 CE1 TYR A 84 18.282 0.219 5.197 1.00 31.43 C ATOM 1365 CE2 TYR A 84 19.769 -1.655 5.174 1.00 62.30 C ATOM 1366 CZ TYR A 84 19.559 -0.296 5.283 1.00 34.24 C ATOM 1367 OH TYR A 84 20.641 0.547 5.469 1.00 64.14 O ATOM 0 H TYR A 84 14.593 -1.205 3.758 1.00 25.21 H new ATOM 0 HA TYR A 84 16.460 -3.142 2.547 1.00 13.41 H new ATOM 0 HB2 TYR A 84 15.404 -2.685 5.370 1.00 41.12 H new ATOM 0 HB3 TYR A 84 16.503 -3.977 4.931 1.00 41.12 H new ATOM 0 HD1 TYR A 84 16.217 -0.226 4.941 1.00 22.53 H new ATOM 0 HD2 TYR A 84 18.872 -3.569 4.898 1.00 73.01 H new ATOM 0 HE1 TYR A 84 18.119 1.283 5.279 1.00 31.43 H new ATOM 0 HE2 TYR A 84 20.771 -2.054 5.239 1.00 62.30 H new ATOM 0 HH TYR A 84 21.465 0.018 5.508 1.00 64.14 H new ATOM 1377 N ASN A 85 15.035 -5.299 3.001 1.00 41.12 N ATOM 1378 CA ASN A 85 14.148 -6.476 2.884 1.00 72.40 C ATOM 1379 C ASN A 85 13.162 -6.511 4.067 1.00 33.15 C ATOM 1380 O ASN A 85 11.963 -6.769 3.901 1.00 44.41 O ATOM 1381 CB ASN A 85 15.006 -7.767 2.837 1.00 14.55 C ATOM 1382 CG ASN A 85 14.184 -9.061 2.797 1.00 54.21 C ATOM 1383 OD1 ASN A 85 13.811 -9.612 3.837 1.00 22.22 O ATOM 1384 ND2 ASN A 85 13.905 -9.562 1.603 1.00 72.32 N ATOM 0 H ASN A 85 16.026 -5.538 3.037 1.00 41.12 H new ATOM 0 HA ASN A 85 13.569 -6.409 1.963 1.00 72.40 H new ATOM 0 HB2 ASN A 85 15.651 -7.731 1.959 1.00 14.55 H new ATOM 0 HB3 ASN A 85 15.658 -7.790 3.710 1.00 14.55 H new ATOM 0 HD21 ASN A 85 13.368 -10.426 1.525 1.00 72.32 H new ATOM 0 HD22 ASN A 85 14.227 -9.084 0.761 1.00 72.32 H new ATOM 1391 N ASP A 86 13.704 -6.230 5.257 1.00 14.11 N ATOM 1392 CA ASP A 86 12.936 -6.124 6.503 1.00 42.43 C ATOM 1393 C ASP A 86 12.263 -4.740 6.577 1.00 1.34 C ATOM 1394 O ASP A 86 12.942 -3.724 6.479 1.00 31.41 O ATOM 1395 CB ASP A 86 13.876 -6.355 7.718 1.00 23.32 C ATOM 1396 CG ASP A 86 14.549 -7.739 7.690 1.00 55.41 C ATOM 1397 OD1 ASP A 86 13.837 -8.754 7.883 1.00 30.21 O ATOM 1398 OD2 ASP A 86 15.782 -7.827 7.477 1.00 23.42 O ATOM 0 H ASP A 86 14.703 -6.067 5.384 1.00 14.11 H new ATOM 0 HA ASP A 86 12.157 -6.887 6.524 1.00 42.43 H new ATOM 0 HB2 ASP A 86 14.644 -5.582 7.731 1.00 23.32 H new ATOM 0 HB3 ASP A 86 13.304 -6.252 8.640 1.00 23.32 H new ATOM 1403 N ILE A 87 10.923 -4.719 6.675 1.00 35.11 N ATOM 1404 CA ILE A 87 10.103 -3.479 6.753 1.00 13.01 C ATOM 1405 C ILE A 87 9.106 -3.588 7.933 1.00 73.05 C ATOM 1406 O ILE A 87 8.721 -4.696 8.304 1.00 32.34 O ATOM 1407 CB ILE A 87 9.336 -3.236 5.390 1.00 24.43 C ATOM 1408 CG1 ILE A 87 10.335 -3.005 4.212 1.00 24.32 C ATOM 1409 CG2 ILE A 87 8.324 -2.068 5.479 1.00 1.40 C ATOM 1410 CD1 ILE A 87 11.212 -1.761 4.349 1.00 33.51 C ATOM 0 H ILE A 87 10.363 -5.571 6.703 1.00 35.11 H new ATOM 0 HA ILE A 87 10.760 -2.626 6.925 1.00 13.01 H new ATOM 0 HB ILE A 87 8.766 -4.143 5.191 1.00 24.43 H new ATOM 0 HG12 ILE A 87 10.980 -3.879 4.125 1.00 24.32 H new ATOM 0 HG13 ILE A 87 9.769 -2.933 3.283 1.00 24.32 H new ATOM 0 HG21 ILE A 87 7.826 -1.944 4.517 1.00 1.40 H new ATOM 0 HG22 ILE A 87 7.582 -2.287 6.247 1.00 1.40 H new ATOM 0 HG23 ILE A 87 8.851 -1.149 5.736 1.00 1.40 H new ATOM 0 HD11 ILE A 87 11.872 -1.684 3.485 1.00 33.51 H new ATOM 0 HD12 ILE A 87 10.580 -0.874 4.403 1.00 33.51 H new ATOM 0 HD13 ILE A 87 11.810 -1.836 5.257 1.00 33.51 H new ATOM 1422 N ASN A 88 8.705 -2.445 8.532 1.00 71.13 N ATOM 1423 CA ASN A 88 7.723 -2.419 9.641 1.00 34.43 C ATOM 1424 C ASN A 88 6.281 -2.301 9.094 1.00 1.14 C ATOM 1425 O ASN A 88 6.046 -1.647 8.075 1.00 51.10 O ATOM 1426 CB ASN A 88 8.032 -1.237 10.595 1.00 45.45 C ATOM 1427 CG ASN A 88 7.050 -1.110 11.772 1.00 43.41 C ATOM 1428 OD1 ASN A 88 6.080 -0.354 11.714 1.00 12.24 O ATOM 1429 ND2 ASN A 88 7.259 -1.889 12.825 1.00 53.22 N ATOM 0 H ASN A 88 9.048 -1.523 8.264 1.00 71.13 H new ATOM 0 HA ASN A 88 7.803 -3.354 10.195 1.00 34.43 H new ATOM 0 HB2 ASN A 88 9.042 -1.356 10.989 1.00 45.45 H new ATOM 0 HB3 ASN A 88 8.020 -0.309 10.023 1.00 45.45 H new ATOM 0 HD21 ASN A 88 6.609 -1.870 13.610 1.00 53.22 H new ATOM 0 HD22 ASN A 88 8.070 -2.507 12.849 1.00 53.22 H new ATOM 1436 N VAL A 89 5.332 -2.941 9.797 1.00 72.25 N ATOM 1437 CA VAL A 89 3.891 -2.850 9.501 1.00 3.43 C ATOM 1438 C VAL A 89 3.131 -2.413 10.772 1.00 64.02 C ATOM 1439 O VAL A 89 3.571 -2.697 11.896 1.00 33.21 O ATOM 1440 CB VAL A 89 3.325 -4.222 8.970 1.00 53.10 C ATOM 1441 CG1 VAL A 89 3.347 -5.327 10.052 1.00 12.21 C ATOM 1442 CG2 VAL A 89 1.916 -4.044 8.367 1.00 12.33 C ATOM 0 H VAL A 89 5.544 -3.541 10.594 1.00 72.25 H new ATOM 0 HA VAL A 89 3.747 -2.108 8.716 1.00 3.43 H new ATOM 0 HB VAL A 89 3.991 -4.556 8.174 1.00 53.10 H new ATOM 0 HG11 VAL A 89 2.947 -6.252 9.636 1.00 12.21 H new ATOM 0 HG12 VAL A 89 4.372 -5.492 10.383 1.00 12.21 H new ATOM 0 HG13 VAL A 89 2.737 -5.017 10.901 1.00 12.21 H new ATOM 0 HG21 VAL A 89 1.550 -5.006 8.008 1.00 12.33 H new ATOM 0 HG22 VAL A 89 1.239 -3.660 9.130 1.00 12.33 H new ATOM 0 HG23 VAL A 89 1.962 -3.341 7.536 1.00 12.33 H new ATOM 1452 N THR A 90 2.014 -1.695 10.594 1.00 4.24 N ATOM 1453 CA THR A 90 1.104 -1.318 11.690 1.00 51.13 C ATOM 1454 C THR A 90 -0.349 -1.356 11.173 1.00 32.34 C ATOM 1455 O THR A 90 -0.765 -0.474 10.418 1.00 11.50 O ATOM 1456 CB THR A 90 1.446 0.123 12.232 1.00 34.33 C ATOM 1457 OG1 THR A 90 2.806 0.172 12.701 1.00 14.41 O ATOM 1458 CG2 THR A 90 0.504 0.572 13.375 1.00 13.25 C ATOM 0 H THR A 90 1.712 -1.356 9.681 1.00 4.24 H new ATOM 0 HA THR A 90 1.224 -2.025 12.511 1.00 51.13 H new ATOM 0 HB THR A 90 1.307 0.808 11.395 1.00 34.33 H new ATOM 0 HG1 THR A 90 3.005 1.072 13.033 1.00 14.41 H new ATOM 0 HG21 THR A 90 0.787 1.571 13.708 1.00 13.25 H new ATOM 0 HG22 THR A 90 -0.524 0.587 13.014 1.00 13.25 H new ATOM 0 HG23 THR A 90 0.585 -0.125 14.209 1.00 13.25 H new ATOM 1466 N TRP A 91 -1.114 -2.382 11.572 1.00 13.40 N ATOM 1467 CA TRP A 91 -2.539 -2.494 11.219 1.00 75.42 C ATOM 1468 C TRP A 91 -3.379 -1.851 12.326 1.00 3.42 C ATOM 1469 O TRP A 91 -3.130 -2.083 13.514 1.00 43.25 O ATOM 1470 CB TRP A 91 -2.920 -3.979 11.013 1.00 1.25 C ATOM 1471 CG TRP A 91 -4.376 -4.231 10.661 1.00 44.22 C ATOM 1472 CD1 TRP A 91 -5.182 -3.473 9.855 1.00 30.43 C ATOM 1473 CD2 TRP A 91 -5.176 -5.354 11.071 1.00 5.43 C ATOM 1474 NE1 TRP A 91 -6.429 -4.031 9.784 1.00 40.30 N ATOM 1475 CE2 TRP A 91 -6.446 -5.190 10.499 1.00 4.21 C ATOM 1476 CE3 TRP A 91 -4.937 -6.480 11.868 1.00 4.10 C ATOM 1477 CZ2 TRP A 91 -7.472 -6.105 10.699 1.00 53.32 C ATOM 1478 CZ3 TRP A 91 -5.956 -7.391 12.064 1.00 40.51 C ATOM 1479 CH2 TRP A 91 -7.210 -7.201 11.480 1.00 71.24 C ATOM 0 H TRP A 91 -0.768 -3.152 12.144 1.00 13.40 H new ATOM 0 HA TRP A 91 -2.734 -1.971 10.283 1.00 75.42 H new ATOM 0 HB2 TRP A 91 -2.295 -4.391 10.221 1.00 1.25 H new ATOM 0 HB3 TRP A 91 -2.683 -4.528 11.924 1.00 1.25 H new ATOM 0 HD1 TRP A 91 -4.878 -2.568 9.350 1.00 30.43 H new ATOM 0 HE1 TRP A 91 -7.222 -3.640 9.275 1.00 40.30 H new ATOM 0 HE3 TRP A 91 -3.970 -6.634 12.323 1.00 4.10 H new ATOM 0 HZ2 TRP A 91 -8.445 -5.958 10.254 1.00 53.32 H new ATOM 0 HZ3 TRP A 91 -5.781 -8.262 12.677 1.00 40.51 H new ATOM 0 HH2 TRP A 91 -7.988 -7.931 11.647 1.00 71.24 H new ATOM 1490 N ASP A 92 -4.360 -1.028 11.927 1.00 23.20 N ATOM 1491 CA ASP A 92 -5.192 -0.262 12.867 1.00 74.42 C ATOM 1492 C ASP A 92 -6.562 -0.939 13.036 1.00 74.13 C ATOM 1493 O ASP A 92 -6.856 -1.507 14.094 1.00 40.33 O ATOM 1494 CB ASP A 92 -5.352 1.194 12.360 1.00 51.30 C ATOM 1495 CG ASP A 92 -4.002 1.874 12.079 1.00 5.23 C ATOM 1496 OD1 ASP A 92 -3.320 2.283 13.044 1.00 11.51 O ATOM 1497 OD2 ASP A 92 -3.618 2.000 10.894 1.00 14.35 O ATOM 0 H ASP A 92 -4.598 -0.875 10.947 1.00 23.20 H new ATOM 0 HA ASP A 92 -4.704 -0.237 13.842 1.00 74.42 H new ATOM 0 HB2 ASP A 92 -5.951 1.194 11.449 1.00 51.30 H new ATOM 0 HB3 ASP A 92 -5.900 1.775 13.102 1.00 51.30 H new ATOM 1502 N GLY A 93 -7.377 -0.904 11.962 1.00 2.34 N ATOM 1503 CA GLY A 93 -8.738 -1.446 11.992 1.00 61.11 C ATOM 1504 C GLY A 93 -9.267 -1.735 10.594 1.00 14.23 C ATOM 1505 O GLY A 93 -9.198 -2.873 10.128 1.00 22.23 O ATOM 0 H GLY A 93 -7.109 -0.503 11.063 1.00 2.34 H new ATOM 0 HA2 GLY A 93 -8.750 -2.363 12.581 1.00 61.11 H new ATOM 0 HA3 GLY A 93 -9.400 -0.738 12.491 1.00 61.11 H new ATOM 1509 N ASP A 94 -9.782 -0.688 9.912 1.00 55.50 N ATOM 1510 CA ASP A 94 -10.327 -0.799 8.536 1.00 25.32 C ATOM 1511 C ASP A 94 -9.255 -0.495 7.485 1.00 3.44 C ATOM 1512 O ASP A 94 -9.520 -0.577 6.282 1.00 2.13 O ATOM 1513 CB ASP A 94 -11.529 0.163 8.332 1.00 24.31 C ATOM 1514 CG ASP A 94 -12.752 -0.185 9.189 1.00 64.32 C ATOM 1515 OD1 ASP A 94 -13.519 -1.094 8.805 1.00 23.43 O ATOM 1516 OD2 ASP A 94 -12.965 0.464 10.236 1.00 23.52 O ATOM 0 H ASP A 94 -9.833 0.256 10.296 1.00 55.50 H new ATOM 0 HA ASP A 94 -10.665 -1.828 8.410 1.00 25.32 H new ATOM 0 HB2 ASP A 94 -11.212 1.180 8.564 1.00 24.31 H new ATOM 0 HB3 ASP A 94 -11.818 0.151 7.281 1.00 24.31 H new ATOM 1521 N THR A 95 -8.049 -0.132 7.946 1.00 2.12 N ATOM 1522 CA THR A 95 -6.938 0.260 7.078 1.00 25.05 C ATOM 1523 C THR A 95 -5.587 -0.195 7.690 1.00 22.34 C ATOM 1524 O THR A 95 -5.369 -0.040 8.900 1.00 21.55 O ATOM 1525 CB THR A 95 -6.961 1.811 6.859 1.00 23.14 C ATOM 1526 OG1 THR A 95 -8.276 2.238 6.451 1.00 25.44 O ATOM 1527 CG2 THR A 95 -5.956 2.266 5.803 1.00 21.22 C ATOM 0 H THR A 95 -7.820 -0.103 8.939 1.00 2.12 H new ATOM 0 HA THR A 95 -7.049 -0.229 6.110 1.00 25.05 H new ATOM 0 HB THR A 95 -6.688 2.263 7.812 1.00 23.14 H new ATOM 0 HG1 THR A 95 -8.278 3.209 6.319 1.00 25.44 H new ATOM 0 HG21 THR A 95 -6.012 3.349 5.690 1.00 21.22 H new ATOM 0 HG22 THR A 95 -4.950 1.986 6.114 1.00 21.22 H new ATOM 0 HG23 THR A 95 -6.188 1.789 4.851 1.00 21.22 H new ATOM 1535 N VAL A 96 -4.704 -0.798 6.859 1.00 61.40 N ATOM 1536 CA VAL A 96 -3.324 -1.134 7.265 1.00 52.21 C ATOM 1537 C VAL A 96 -2.363 0.000 6.843 1.00 55.32 C ATOM 1538 O VAL A 96 -2.418 0.487 5.710 1.00 62.01 O ATOM 1539 CB VAL A 96 -2.843 -2.522 6.680 1.00 3.41 C ATOM 1540 CG1 VAL A 96 -2.803 -2.553 5.129 1.00 13.31 C ATOM 1541 CG2 VAL A 96 -1.481 -2.927 7.289 1.00 0.33 C ATOM 0 H VAL A 96 -4.927 -1.062 5.899 1.00 61.40 H new ATOM 0 HA VAL A 96 -3.314 -1.233 8.350 1.00 52.21 H new ATOM 0 HB VAL A 96 -3.590 -3.260 6.972 1.00 3.41 H new ATOM 0 HG11 VAL A 96 -2.465 -3.533 4.793 1.00 13.31 H new ATOM 0 HG12 VAL A 96 -3.801 -2.359 4.735 1.00 13.31 H new ATOM 0 HG13 VAL A 96 -2.115 -1.788 4.767 1.00 13.31 H new ATOM 0 HG21 VAL A 96 -1.167 -3.885 6.874 1.00 0.33 H new ATOM 0 HG22 VAL A 96 -0.736 -2.167 7.052 1.00 0.33 H new ATOM 0 HG23 VAL A 96 -1.578 -3.015 8.371 1.00 0.33 H new ATOM 1551 N THR A 97 -1.514 0.433 7.779 1.00 60.22 N ATOM 1552 CA THR A 97 -0.518 1.494 7.555 1.00 64.43 C ATOM 1553 C THR A 97 0.899 0.896 7.580 1.00 11.10 C ATOM 1554 O THR A 97 1.193 0.030 8.406 1.00 12.42 O ATOM 1555 CB THR A 97 -0.661 2.586 8.653 1.00 75.31 C ATOM 1556 OG1 THR A 97 -2.007 3.078 8.655 1.00 22.30 O ATOM 1557 CG2 THR A 97 0.297 3.763 8.450 1.00 63.13 C ATOM 0 H THR A 97 -1.496 0.055 8.726 1.00 60.22 H new ATOM 0 HA THR A 97 -0.689 1.948 6.579 1.00 64.43 H new ATOM 0 HB THR A 97 -0.409 2.120 9.605 1.00 75.31 H new ATOM 0 HG1 THR A 97 -2.496 2.691 9.411 1.00 22.30 H new ATOM 0 HG21 THR A 97 0.151 4.493 9.247 1.00 63.13 H new ATOM 0 HG22 THR A 97 1.326 3.403 8.472 1.00 63.13 H new ATOM 0 HG23 THR A 97 0.097 4.233 7.487 1.00 63.13 H new ATOM 1565 N VAL A 98 1.765 1.341 6.654 1.00 3.41 N ATOM 1566 CA VAL A 98 3.163 0.884 6.563 1.00 21.51 C ATOM 1567 C VAL A 98 4.095 2.096 6.384 1.00 42.53 C ATOM 1568 O VAL A 98 3.926 2.873 5.443 1.00 70.42 O ATOM 1569 CB VAL A 98 3.361 -0.150 5.376 1.00 62.20 C ATOM 1570 CG1 VAL A 98 4.856 -0.485 5.132 1.00 71.45 C ATOM 1571 CG2 VAL A 98 2.545 -1.442 5.633 1.00 13.11 C ATOM 0 H VAL A 98 1.515 2.030 5.945 1.00 3.41 H new ATOM 0 HA VAL A 98 3.415 0.369 7.490 1.00 21.51 H new ATOM 0 HB VAL A 98 2.987 0.327 4.470 1.00 62.20 H new ATOM 0 HG11 VAL A 98 4.940 -1.196 4.310 1.00 71.45 H new ATOM 0 HG12 VAL A 98 5.397 0.427 4.879 1.00 71.45 H new ATOM 0 HG13 VAL A 98 5.283 -0.921 6.035 1.00 71.45 H new ATOM 0 HG21 VAL A 98 2.695 -2.137 4.807 1.00 13.11 H new ATOM 0 HG22 VAL A 98 2.879 -1.904 6.562 1.00 13.11 H new ATOM 0 HG23 VAL A 98 1.486 -1.194 5.711 1.00 13.11 H new ATOM 1581 N GLU A 99 5.034 2.262 7.330 1.00 60.41 N ATOM 1582 CA GLU A 99 6.168 3.196 7.214 1.00 12.51 C ATOM 1583 C GLU A 99 7.343 2.632 8.035 1.00 24.34 C ATOM 1584 O GLU A 99 7.136 1.782 8.912 1.00 40.13 O ATOM 1585 CB GLU A 99 5.813 4.640 7.702 1.00 2.32 C ATOM 1586 CG GLU A 99 6.922 5.686 7.413 1.00 13.11 C ATOM 1587 CD GLU A 99 6.677 7.080 8.007 1.00 42.04 C ATOM 1588 OE1 GLU A 99 6.015 7.914 7.358 1.00 33.04 O ATOM 1589 OE2 GLU A 99 7.175 7.363 9.119 1.00 13.41 O ATOM 0 H GLU A 99 5.027 1.745 8.209 1.00 60.41 H new ATOM 0 HA GLU A 99 6.434 3.284 6.161 1.00 12.51 H new ATOM 0 HB2 GLU A 99 4.889 4.960 7.220 1.00 2.32 H new ATOM 0 HB3 GLU A 99 5.620 4.614 8.775 1.00 2.32 H new ATOM 0 HG2 GLU A 99 7.868 5.305 7.799 1.00 13.11 H new ATOM 0 HG3 GLU A 99 7.035 5.783 6.333 1.00 13.11 H new ATOM 1596 N GLY A 100 8.568 3.094 7.729 1.00 24.45 N ATOM 1597 CA GLY A 100 9.742 2.797 8.544 1.00 23.33 C ATOM 1598 C GLY A 100 10.209 1.349 8.469 1.00 72.53 C ATOM 1599 O GLY A 100 9.993 0.656 7.457 1.00 10.33 O ATOM 0 H GLY A 100 8.763 3.678 6.916 1.00 24.45 H new ATOM 0 HA2 GLY A 100 10.560 3.447 8.232 1.00 23.33 H new ATOM 0 HA3 GLY A 100 9.520 3.041 9.583 1.00 23.33 H new ATOM 1603 N GLN A 101 10.828 0.890 9.569 1.00 2.40 N ATOM 1604 CA GLN A 101 11.470 -0.421 9.635 1.00 25.42 C ATOM 1605 C GLN A 101 11.664 -0.843 11.101 1.00 12.42 C ATOM 1606 O GLN A 101 11.913 0.001 11.974 1.00 1.51 O ATOM 1607 CB GLN A 101 12.817 -0.369 8.886 1.00 2.22 C ATOM 1608 CG GLN A 101 13.545 -1.710 8.782 1.00 33.04 C ATOM 1609 CD GLN A 101 14.787 -1.630 7.906 1.00 61.41 C ATOM 1610 OE1 GLN A 101 14.862 -0.816 6.990 1.00 72.31 O ATOM 1611 NE2 GLN A 101 15.753 -2.489 8.149 1.00 11.31 N ATOM 0 H GLN A 101 10.894 1.423 10.436 1.00 2.40 H new ATOM 0 HA GLN A 101 10.834 -1.166 9.156 1.00 25.42 H new ATOM 0 HB2 GLN A 101 12.643 0.013 7.880 1.00 2.22 H new ATOM 0 HB3 GLN A 101 13.469 0.345 9.389 1.00 2.22 H new ATOM 0 HG2 GLN A 101 13.829 -2.045 9.780 1.00 33.04 H new ATOM 0 HG3 GLN A 101 12.865 -2.459 8.376 1.00 33.04 H new ATOM 0 HE21 GLN A 101 15.663 -3.154 8.917 1.00 11.31 H new ATOM 0 HE22 GLN A 101 16.592 -2.490 7.569 1.00 11.31 H new ATOM 1620 N LEU A 102 11.504 -2.152 11.367 1.00 25.11 N ATOM 1621 CA LEU A 102 11.778 -2.737 12.690 1.00 32.22 C ATOM 1622 C LEU A 102 13.285 -2.598 13.031 1.00 3.31 C ATOM 1623 O LEU A 102 14.148 -3.198 12.385 1.00 15.22 O ATOM 1624 CB LEU A 102 11.298 -4.230 12.796 1.00 12.41 C ATOM 1625 CG LEU A 102 11.948 -5.298 11.837 1.00 71.01 C ATOM 1626 CD1 LEU A 102 11.705 -6.742 12.330 1.00 63.24 C ATOM 1627 CD2 LEU A 102 11.453 -5.154 10.384 1.00 10.15 C ATOM 0 H LEU A 102 11.183 -2.829 10.675 1.00 25.11 H new ATOM 0 HA LEU A 102 11.200 -2.179 13.427 1.00 32.22 H new ATOM 0 HB2 LEU A 102 11.465 -4.560 13.821 1.00 12.41 H new ATOM 0 HB3 LEU A 102 10.221 -4.245 12.628 1.00 12.41 H new ATOM 0 HG LEU A 102 13.020 -5.101 11.855 1.00 71.01 H new ATOM 0 HD11 LEU A 102 12.170 -7.445 11.639 1.00 63.24 H new ATOM 0 HD12 LEU A 102 12.140 -6.866 13.322 1.00 63.24 H new ATOM 0 HD13 LEU A 102 10.633 -6.935 12.377 1.00 63.24 H new ATOM 0 HD21 LEU A 102 11.929 -5.911 9.761 1.00 10.15 H new ATOM 0 HD22 LEU A 102 10.371 -5.286 10.353 1.00 10.15 H new ATOM 0 HD23 LEU A 102 11.709 -4.163 10.009 1.00 10.15 H new ATOM 1639 N GLU A 103 13.584 -1.730 14.013 1.00 71.51 N ATOM 1640 CA GLU A 103 14.961 -1.429 14.453 1.00 52.45 C ATOM 1641 C GLU A 103 15.337 -2.318 15.650 1.00 32.21 C ATOM 1642 O GLU A 103 14.558 -2.452 16.604 1.00 23.33 O ATOM 1643 CB GLU A 103 15.086 0.075 14.804 1.00 32.32 C ATOM 1644 CG GLU A 103 16.507 0.546 15.193 1.00 12.33 C ATOM 1645 CD GLU A 103 16.575 2.046 15.518 1.00 31.32 C ATOM 1646 OE1 GLU A 103 16.230 2.431 16.656 1.00 75.24 O ATOM 1647 OE2 GLU A 103 16.963 2.849 14.646 1.00 3.34 O ATOM 0 H GLU A 103 12.872 -1.213 14.529 1.00 71.51 H new ATOM 0 HA GLU A 103 15.657 -1.645 13.643 1.00 52.45 H new ATOM 0 HB2 GLU A 103 14.748 0.660 13.949 1.00 32.32 H new ATOM 0 HB3 GLU A 103 14.409 0.296 15.629 1.00 32.32 H new ATOM 0 HG2 GLU A 103 16.848 -0.023 16.058 1.00 12.33 H new ATOM 0 HG3 GLU A 103 17.193 0.326 14.375 1.00 12.33 H new ATOM 1654 N GLY A 104 16.529 -2.924 15.576 1.00 41.54 N ATOM 1655 CA GLY A 104 17.021 -3.840 16.598 1.00 4.23 C ATOM 1656 C GLY A 104 18.202 -4.637 16.080 1.00 65.31 C ATOM 1657 O GLY A 104 19.364 -4.290 16.343 1.00 4.12 O ATOM 0 H GLY A 104 17.177 -2.788 14.800 1.00 41.54 H new ATOM 0 HA2 GLY A 104 17.316 -3.279 17.485 1.00 4.23 H new ATOM 0 HA3 GLY A 104 16.223 -4.518 16.900 1.00 4.23 H new ATOM 1661 N VAL A 105 17.893 -5.690 15.304 1.00 53.00 N ATOM 1662 CA VAL A 105 18.902 -6.557 14.659 1.00 21.04 C ATOM 1663 C VAL A 105 19.061 -6.186 13.169 1.00 13.12 C ATOM 1664 O VAL A 105 18.119 -5.667 12.552 1.00 43.32 O ATOM 1665 CB VAL A 105 18.536 -8.084 14.805 1.00 33.24 C ATOM 1666 CG1 VAL A 105 18.471 -8.496 16.292 1.00 70.42 C ATOM 1667 CG2 VAL A 105 17.224 -8.452 14.059 1.00 53.20 C ATOM 0 H VAL A 105 16.932 -5.967 15.104 1.00 53.00 H new ATOM 0 HA VAL A 105 19.851 -6.392 15.169 1.00 21.04 H new ATOM 0 HB VAL A 105 19.335 -8.651 14.329 1.00 33.24 H new ATOM 0 HG11 VAL A 105 18.217 -9.553 16.366 1.00 70.42 H new ATOM 0 HG12 VAL A 105 19.440 -8.322 16.760 1.00 70.42 H new ATOM 0 HG13 VAL A 105 17.710 -7.904 16.801 1.00 70.42 H new ATOM 0 HG21 VAL A 105 17.016 -9.514 14.190 1.00 53.20 H new ATOM 0 HG22 VAL A 105 16.398 -7.868 14.465 1.00 53.20 H new ATOM 0 HG23 VAL A 105 17.336 -8.233 12.997 1.00 53.20 H new ATOM 1677 N ASP A 106 20.254 -6.463 12.611 1.00 12.53 N ATOM 1678 CA ASP A 106 20.580 -6.201 11.194 1.00 10.32 C ATOM 1679 C ASP A 106 21.804 -7.058 10.789 1.00 0.14 C ATOM 1680 O ASP A 106 21.636 -8.059 10.069 1.00 73.31 O ATOM 1681 CB ASP A 106 20.845 -4.681 10.950 1.00 73.54 C ATOM 1682 CG ASP A 106 21.332 -4.361 9.523 1.00 23.41 C ATOM 1683 OD1 ASP A 106 20.605 -4.667 8.549 1.00 41.21 O ATOM 1684 OD2 ASP A 106 22.427 -3.779 9.362 1.00 2.41 O ATOM 1685 OXT ASP A 106 22.934 -6.758 11.238 1.00 38.25 O ATOM 0 H ASP A 106 21.026 -6.878 13.133 1.00 12.53 H new ATOM 0 HA ASP A 106 19.730 -6.479 10.572 1.00 10.32 H new ATOM 0 HB2 ASP A 106 19.928 -4.125 11.145 1.00 73.54 H new ATOM 0 HB3 ASP A 106 21.589 -4.331 11.666 1.00 73.54 H new TER 1690 ASP A 106