USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 926 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 39 SER OG : rot 167:sc= 0.199 USER MOD Set 1.2: A 68 ASN : amide:sc= -4.07! C(o=-3.9!,f=-8.7!) USER MOD Set 2.1: A 25 TYR OH : rot -142:sc= 2.23 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -1.76 K(o=0.48,f=-8.2!) USER MOD Single : A 1 GLY N :NH3+ -152:sc= 0.00183 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 34:sc= 0.851 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -133:sc= 0.236 USER MOD Single : A 19 GLN : amide:sc= -0.0293 K(o=-0.029,f=-1.6) USER MOD Single : A 20 GLN : amide:sc= -0.0096 K(o=-0.0096,f=-1.4) USER MOD Single : A 21 GLN : amide:sc= -0.0225 X(o=-0.023,f=-0.056) USER MOD Single : A 22 THR OG1 : rot -9:sc= 0.242 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.021) USER MOD Single : A 29 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -60:sc= 0.00908 USER MOD Single : A 44 CYS SG : rot 160:sc= -0.387 USER MOD Single : A 56 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.16) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.89! C(o=-3.9!,f=-5.5!) USER MOD Single : A 69 ASN : amide:sc= -1.01 K(o=-1,f=-2.2) USER MOD Single : A 70 GLN : amide:sc= -1.8 K(o=-1.8,f=-2.7) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 148:sc= -1.16 (180deg=-2.35!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.9!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -166:sc= -0.298 (180deg=-1.25) USER MOD Single : A 104 MET CE :methyl 142:sc= -1.55 (180deg=-3.89!) USER MOD Single : A 105 TYR OH : rot 0:sc=-0.00215 USER MOD Single : A 107 SER OG : rot -109:sc= 0.836 USER MOD Single : A 108 LYS NZ :NH3+ -140:sc= -1.92 (180deg=-3.92!) USER MOD Single : A 110 TYR OH : rot 180:sc=-0.00143 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.167 -21.380 -9.742 1.00 0.00 N ATOM 2 CA GLY A 1 -2.448 -22.604 -10.044 1.00 0.00 C ATOM 3 C GLY A 1 -2.273 -23.489 -8.826 1.00 0.00 C ATOM 4 O GLY A 1 -3.189 -23.628 -8.014 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.668 -21.053 -10.593 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.855 -21.560 -8.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.494 -20.649 -9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.984 -23.156 -10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.468 -22.355 -10.452 1.00 0.00 H new ATOM 8 N SER A 2 -1.095 -24.090 -8.697 1.00 0.00 N ATOM 9 CA SER A 2 -0.805 -24.971 -7.571 1.00 0.00 C ATOM 10 C SER A 2 -1.301 -24.362 -6.263 1.00 0.00 C ATOM 11 O SER A 2 -0.930 -23.244 -5.906 1.00 0.00 O ATOM 12 CB SER A 2 0.698 -25.243 -7.483 1.00 0.00 C ATOM 13 OG SER A 2 0.987 -26.183 -6.463 1.00 0.00 O ATOM 0 H SER A 2 -0.326 -23.983 -9.358 1.00 0.00 H new ATOM 0 HA SER A 2 -1.328 -25.913 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.060 -25.618 -8.440 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.228 -24.312 -7.285 1.00 0.00 H new ATOM 0 HG SER A 2 1.954 -26.341 -6.428 1.00 0.00 H new ATOM 19 N SER A 3 -2.142 -25.106 -5.553 1.00 0.00 N ATOM 20 CA SER A 3 -2.693 -24.640 -4.286 1.00 0.00 C ATOM 21 C SER A 3 -1.783 -25.025 -3.123 1.00 0.00 C ATOM 22 O SER A 3 -1.138 -26.072 -3.146 1.00 0.00 O ATOM 23 CB SER A 3 -4.091 -25.221 -4.069 1.00 0.00 C ATOM 24 OG SER A 3 -4.064 -26.637 -4.093 1.00 0.00 O ATOM 0 H SER A 3 -2.457 -26.035 -5.834 1.00 0.00 H new ATOM 0 HA SER A 3 -2.762 -23.553 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.486 -24.878 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.765 -24.854 -4.843 1.00 0.00 H new ATOM 0 HG SER A 3 -4.969 -26.984 -3.950 1.00 0.00 H new ATOM 30 N GLY A 4 -1.738 -24.170 -2.106 1.00 0.00 N ATOM 31 CA GLY A 4 -0.905 -24.437 -0.949 1.00 0.00 C ATOM 32 C GLY A 4 -1.359 -23.675 0.281 1.00 0.00 C ATOM 33 O GLY A 4 -2.425 -23.059 0.279 1.00 0.00 O ATOM 0 H GLY A 4 -2.264 -23.297 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.917 -25.506 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.126 -24.169 -1.178 1.00 0.00 H new ATOM 37 N SER A 5 -0.550 -23.719 1.334 1.00 0.00 N ATOM 38 CA SER A 5 -0.877 -23.032 2.578 1.00 0.00 C ATOM 39 C SER A 5 -0.961 -21.524 2.361 1.00 0.00 C ATOM 40 O SER A 5 0.051 -20.863 2.127 1.00 0.00 O ATOM 41 CB SER A 5 0.168 -23.347 3.650 1.00 0.00 C ATOM 42 OG SER A 5 1.452 -22.892 3.259 1.00 0.00 O ATOM 0 H SER A 5 0.337 -24.223 1.351 1.00 0.00 H new ATOM 0 HA SER A 5 -1.851 -23.388 2.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.118 -22.876 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.198 -24.422 3.828 1.00 0.00 H new ATOM 0 HG SER A 5 1.362 -22.068 2.737 1.00 0.00 H new ATOM 48 N SER A 6 -2.174 -20.987 2.439 1.00 0.00 N ATOM 49 CA SER A 6 -2.392 -19.558 2.247 1.00 0.00 C ATOM 50 C SER A 6 -1.784 -18.757 3.394 1.00 0.00 C ATOM 51 O SER A 6 -1.874 -19.150 4.556 1.00 0.00 O ATOM 52 CB SER A 6 -3.888 -19.259 2.137 1.00 0.00 C ATOM 53 OG SER A 6 -4.129 -17.863 2.116 1.00 0.00 O ATOM 0 H SER A 6 -3.021 -21.520 2.634 1.00 0.00 H new ATOM 0 HA SER A 6 -1.901 -19.262 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.287 -19.714 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.415 -19.710 2.978 1.00 0.00 H new ATOM 0 HG SER A 6 -5.092 -17.698 2.043 1.00 0.00 H new ATOM 59 N GLY A 7 -1.164 -17.630 3.057 1.00 0.00 N ATOM 60 CA GLY A 7 -0.550 -16.790 4.069 1.00 0.00 C ATOM 61 C GLY A 7 -1.303 -15.492 4.280 1.00 0.00 C ATOM 62 O GLY A 7 -2.430 -15.493 4.775 1.00 0.00 O ATOM 0 H GLY A 7 -1.076 -17.284 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.503 -17.337 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.477 -16.568 3.778 1.00 0.00 H new ATOM 66 N ASP A 8 -0.679 -14.381 3.906 1.00 0.00 N ATOM 67 CA ASP A 8 -1.297 -13.068 4.057 1.00 0.00 C ATOM 68 C ASP A 8 -2.346 -12.834 2.975 1.00 0.00 C ATOM 69 O ASP A 8 -2.451 -13.605 2.021 1.00 0.00 O ATOM 70 CB ASP A 8 -0.234 -11.971 4.001 1.00 0.00 C ATOM 71 CG ASP A 8 0.521 -11.963 2.686 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.591 -13.027 2.037 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.043 -10.894 2.307 1.00 0.00 O ATOM 0 H ASP A 8 0.255 -14.363 3.496 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.790 -13.035 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.709 -11.001 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.471 -12.110 4.821 1.00 0.00 H new ATOM 78 N ILE A 9 -3.122 -11.766 3.132 1.00 0.00 N ATOM 79 CA ILE A 9 -4.163 -11.431 2.169 1.00 0.00 C ATOM 80 C ILE A 9 -3.867 -10.103 1.480 1.00 0.00 C ATOM 81 O ILE A 9 -3.151 -9.259 2.018 1.00 0.00 O ATOM 82 CB ILE A 9 -5.547 -11.351 2.840 1.00 0.00 C ATOM 83 CG1 ILE A 9 -5.845 -12.646 3.598 1.00 0.00 C ATOM 84 CG2 ILE A 9 -6.624 -11.079 1.801 1.00 0.00 C ATOM 85 CD1 ILE A 9 -6.147 -13.820 2.694 1.00 0.00 C ATOM 0 H ILE A 9 -3.049 -11.119 3.917 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.174 -12.229 1.426 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.542 -10.527 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.991 -12.893 4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.694 -12.482 4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.596 -11.025 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.417 -10.133 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.632 -11.884 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.348 -14.703 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.020 -13.593 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.291 -14.011 2.047 1.00 0.00 H new ATOM 97 N ARG A 10 -4.425 -9.924 0.287 1.00 0.00 N ATOM 98 CA ARG A 10 -4.222 -8.699 -0.476 1.00 0.00 C ATOM 99 C ARG A 10 -5.210 -7.619 -0.043 1.00 0.00 C ATOM 100 O ARG A 10 -4.840 -6.606 0.549 1.00 0.00 O ATOM 101 CB ARG A 10 -4.374 -8.973 -1.973 1.00 0.00 C ATOM 102 CG ARG A 10 -3.052 -9.211 -2.686 1.00 0.00 C ATOM 103 CD ARG A 10 -2.271 -7.918 -2.858 1.00 0.00 C ATOM 104 NE ARG A 10 -2.886 -7.034 -3.844 1.00 0.00 N ATOM 105 CZ ARG A 10 -2.269 -5.986 -4.378 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.026 -5.692 -4.022 1.00 0.00 N ATOM 107 NH2 ARG A 10 -2.895 -5.229 -5.270 1.00 0.00 N ATOM 0 H ARG A 10 -5.021 -10.612 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.211 -8.343 -0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.014 -9.845 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.881 -8.128 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.455 -9.925 -2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.239 -9.657 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.207 -7.403 -1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.251 -8.149 -3.165 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.842 -7.232 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.541 -6.271 -3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.555 -4.887 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.851 -5.452 -5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.420 -4.424 -5.679 1.00 0.00 H new ATOM 121 N PRO A 11 -6.498 -7.840 -0.347 1.00 0.00 N ATOM 122 CA PRO A 11 -7.565 -6.897 0.001 1.00 0.00 C ATOM 123 C PRO A 11 -7.826 -6.845 1.503 1.00 0.00 C ATOM 124 O PRO A 11 -7.847 -5.770 2.102 1.00 0.00 O ATOM 125 CB PRO A 11 -8.786 -7.456 -0.734 1.00 0.00 C ATOM 126 CG PRO A 11 -8.501 -8.911 -0.889 1.00 0.00 C ATOM 127 CD PRO A 11 -7.011 -9.026 -1.052 1.00 0.00 C ATOM 0 HA PRO A 11 -7.312 -5.874 -0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.701 -7.290 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.921 -6.974 -1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.843 -9.470 -0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.021 -9.320 -1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.629 -9.949 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.721 -9.026 -2.103 1.00 0.00 H new ATOM 135 N SER A 12 -8.024 -8.013 2.105 1.00 0.00 N ATOM 136 CA SER A 12 -8.286 -8.100 3.537 1.00 0.00 C ATOM 137 C SER A 12 -7.184 -7.411 4.334 1.00 0.00 C ATOM 138 O SER A 12 -7.456 -6.639 5.254 1.00 0.00 O ATOM 139 CB SER A 12 -8.404 -9.563 3.968 1.00 0.00 C ATOM 140 OG SER A 12 -8.793 -9.666 5.326 1.00 0.00 O ATOM 0 H SER A 12 -8.008 -8.912 1.624 1.00 0.00 H new ATOM 0 HA SER A 12 -9.229 -7.592 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.133 -10.073 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.448 -10.067 3.821 1.00 0.00 H new ATOM 0 HG SER A 12 -8.863 -10.611 5.576 1.00 0.00 H new ATOM 146 N LYS A 13 -5.936 -7.695 3.975 1.00 0.00 N ATOM 147 CA LYS A 13 -4.790 -7.103 4.655 1.00 0.00 C ATOM 148 C LYS A 13 -4.748 -5.594 4.436 1.00 0.00 C ATOM 149 O LYS A 13 -4.558 -4.825 5.379 1.00 0.00 O ATOM 150 CB LYS A 13 -3.491 -7.738 4.154 1.00 0.00 C ATOM 151 CG LYS A 13 -2.285 -7.419 5.021 1.00 0.00 C ATOM 152 CD LYS A 13 -2.122 -8.430 6.143 1.00 0.00 C ATOM 153 CE LYS A 13 -2.988 -8.076 7.342 1.00 0.00 C ATOM 154 NZ LYS A 13 -2.497 -8.721 8.591 1.00 0.00 N ATOM 0 H LYS A 13 -5.693 -8.332 3.216 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.893 -7.295 5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.619 -8.819 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.298 -7.396 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.386 -7.409 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.393 -6.420 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.388 -9.423 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.076 -8.472 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.002 -6.994 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.015 -8.387 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.114 -8.455 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.508 -9.754 8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.526 -8.405 8.786 1.00 0.00 H new ATOM 168 N LEU A 14 -4.928 -5.176 3.188 1.00 0.00 N ATOM 169 CA LEU A 14 -4.912 -3.758 2.846 1.00 0.00 C ATOM 170 C LEU A 14 -5.902 -2.980 3.706 1.00 0.00 C ATOM 171 O LEU A 14 -5.563 -1.942 4.277 1.00 0.00 O ATOM 172 CB LEU A 14 -5.245 -3.567 1.365 1.00 0.00 C ATOM 173 CG LEU A 14 -5.593 -2.142 0.934 1.00 0.00 C ATOM 174 CD1 LEU A 14 -4.354 -1.260 0.955 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.225 -2.143 -0.450 1.00 0.00 C ATOM 0 H LEU A 14 -5.087 -5.799 2.396 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.911 -3.374 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.393 -3.906 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.084 -4.216 1.115 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.315 -1.735 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.621 -0.250 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.943 -1.233 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.608 -1.664 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.466 -1.121 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.525 -2.569 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.137 -2.740 -0.433 1.00 0.00 H new ATOM 187 N LEU A 15 -7.126 -3.487 3.796 1.00 0.00 N ATOM 188 CA LEU A 15 -8.166 -2.841 4.589 1.00 0.00 C ATOM 189 C LEU A 15 -7.609 -2.348 5.920 1.00 0.00 C ATOM 190 O LEU A 15 -7.845 -1.208 6.322 1.00 0.00 O ATOM 191 CB LEU A 15 -9.324 -3.810 4.835 1.00 0.00 C ATOM 192 CG LEU A 15 -10.310 -3.412 5.934 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.033 -2.126 5.562 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.307 -4.533 6.187 1.00 0.00 C ATOM 0 H LEU A 15 -7.423 -4.344 3.329 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.533 -1.981 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.877 -3.927 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.908 -4.786 5.084 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.750 -3.237 6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.731 -1.858 6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.306 -1.324 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.581 -2.273 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.001 -4.232 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.862 -4.740 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.773 -5.431 6.499 1.00 0.00 H new ATOM 206 N THR A 16 -6.864 -3.213 6.601 1.00 0.00 N ATOM 207 CA THR A 16 -6.272 -2.866 7.887 1.00 0.00 C ATOM 208 C THR A 16 -5.648 -1.476 7.847 1.00 0.00 C ATOM 209 O THR A 16 -5.991 -0.609 8.651 1.00 0.00 O ATOM 210 CB THR A 16 -5.196 -3.887 8.303 1.00 0.00 C ATOM 211 OG1 THR A 16 -5.749 -5.208 8.306 1.00 0.00 O ATOM 212 CG2 THR A 16 -4.644 -3.560 9.682 1.00 0.00 C ATOM 0 H THR A 16 -6.656 -4.160 6.283 1.00 0.00 H new ATOM 0 HA THR A 16 -7.078 -2.879 8.621 1.00 0.00 H new ATOM 0 HB THR A 16 -4.381 -3.837 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.058 -5.851 8.570 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.886 -4.295 9.954 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.198 -2.566 9.669 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.452 -3.585 10.413 1.00 0.00 H new ATOM 220 N TRP A 17 -4.732 -1.270 6.908 1.00 0.00 N ATOM 221 CA TRP A 17 -4.061 0.017 6.764 1.00 0.00 C ATOM 222 C TRP A 17 -5.070 1.160 6.770 1.00 0.00 C ATOM 223 O TRP A 17 -4.970 2.084 7.578 1.00 0.00 O ATOM 224 CB TRP A 17 -3.244 0.047 5.472 1.00 0.00 C ATOM 225 CG TRP A 17 -2.450 1.307 5.300 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.226 1.584 5.838 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.828 2.461 4.541 1.00 0.00 C ATOM 228 NE1 TRP A 17 -0.819 2.841 5.458 1.00 0.00 N ATOM 229 CE2 TRP A 17 -1.784 3.399 4.662 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.944 2.792 3.768 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.826 4.644 4.040 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.985 4.028 3.153 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.932 4.942 3.290 1.00 0.00 C ATOM 0 H TRP A 17 -4.437 -1.977 6.235 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.389 0.146 7.613 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.565 -0.806 5.460 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.917 -0.069 4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -0.661 0.914 6.469 1.00 0.00 H new ATOM 0 HE1 TRP A 17 0.059 3.286 5.725 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.760 2.094 3.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.015 5.349 4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.844 4.295 2.556 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.994 5.900 2.795 1.00 0.00 H new ATOM 244 N CYS A 18 -6.039 1.092 5.864 1.00 0.00 N ATOM 245 CA CYS A 18 -7.066 2.123 5.764 1.00 0.00 C ATOM 246 C CYS A 18 -7.743 2.348 7.112 1.00 0.00 C ATOM 247 O CYS A 18 -7.827 3.477 7.595 1.00 0.00 O ATOM 248 CB CYS A 18 -8.108 1.735 4.715 1.00 0.00 C ATOM 249 SG CYS A 18 -7.418 1.405 3.076 1.00 0.00 S ATOM 0 H CYS A 18 -6.135 0.334 5.188 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.584 3.052 5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.641 0.848 5.058 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.842 2.537 4.634 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.124 2.023 2.176 1.00 0.00 H new ATOM 255 N GLN A 19 -8.226 1.265 7.713 1.00 0.00 N ATOM 256 CA GLN A 19 -8.899 1.345 9.005 1.00 0.00 C ATOM 257 C GLN A 19 -8.083 2.172 9.993 1.00 0.00 C ATOM 258 O GLN A 19 -8.617 3.051 10.670 1.00 0.00 O ATOM 259 CB GLN A 19 -9.135 -0.057 9.568 1.00 0.00 C ATOM 260 CG GLN A 19 -10.354 -0.751 8.982 1.00 0.00 C ATOM 261 CD GLN A 19 -10.883 -1.855 9.875 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.321 -2.136 10.934 1.00 0.00 O ATOM 263 NE2 GLN A 19 -11.971 -2.490 9.452 1.00 0.00 N ATOM 0 H GLN A 19 -8.164 0.323 7.327 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.861 1.836 8.856 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.253 -0.669 9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.250 0.010 10.650 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.141 -0.015 8.815 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.097 -1.168 8.009 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.405 -2.225 8.568 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.372 -3.243 10.012 1.00 0.00 H new ATOM 272 N GLN A 20 -6.788 1.884 10.071 1.00 0.00 N ATOM 273 CA GLN A 20 -5.899 2.601 10.978 1.00 0.00 C ATOM 274 C GLN A 20 -5.934 4.100 10.701 1.00 0.00 C ATOM 275 O GLN A 20 -6.164 4.902 11.606 1.00 0.00 O ATOM 276 CB GLN A 20 -4.468 2.078 10.843 1.00 0.00 C ATOM 277 CG GLN A 20 -4.316 0.615 11.225 1.00 0.00 C ATOM 278 CD GLN A 20 -4.313 0.402 12.726 1.00 0.00 C ATOM 279 OE1 GLN A 20 -4.428 1.352 13.500 1.00 0.00 O ATOM 280 NE2 GLN A 20 -4.182 -0.851 13.146 1.00 0.00 N ATOM 0 H GLN A 20 -6.331 1.159 9.517 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.245 2.430 11.997 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.137 2.212 9.813 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.810 2.679 11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.130 0.041 10.782 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.388 0.228 10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.089 -1.609 12.469 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.174 -1.056 14.145 1.00 0.00 H new ATOM 289 N GLN A 21 -5.703 4.471 9.446 1.00 0.00 N ATOM 290 CA GLN A 21 -5.707 5.875 9.051 1.00 0.00 C ATOM 291 C GLN A 21 -7.024 6.544 9.431 1.00 0.00 C ATOM 292 O GLN A 21 -7.046 7.698 9.861 1.00 0.00 O ATOM 293 CB GLN A 21 -5.472 6.004 7.545 1.00 0.00 C ATOM 294 CG GLN A 21 -4.196 5.328 7.069 1.00 0.00 C ATOM 295 CD GLN A 21 -2.951 5.925 7.695 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.657 7.107 7.516 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.211 5.108 8.435 1.00 0.00 N ATOM 0 H GLN A 21 -5.511 3.819 8.685 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.899 6.378 9.582 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.321 5.573 7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.434 7.061 7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.243 4.265 7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.128 5.411 5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.492 4.135 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.361 5.453 8.882 1.00 0.00 H new ATOM 306 N THR A 22 -8.122 5.811 9.270 1.00 0.00 N ATOM 307 CA THR A 22 -9.443 6.334 9.595 1.00 0.00 C ATOM 308 C THR A 22 -9.837 5.983 11.025 1.00 0.00 C ATOM 309 O THR A 22 -11.012 5.760 11.318 1.00 0.00 O ATOM 310 CB THR A 22 -10.515 5.789 8.631 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.612 4.367 8.759 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.183 6.153 7.192 1.00 0.00 C ATOM 0 H THR A 22 -8.122 4.854 8.917 1.00 0.00 H new ATOM 0 HA THR A 22 -9.388 7.418 9.492 1.00 0.00 H new ATOM 0 HB THR A 22 -11.471 6.242 8.892 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.883 4.039 9.326 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.953 5.758 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.140 7.238 7.092 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.218 5.725 6.922 1.00 0.00 H new ATOM 320 N GLU A 23 -8.848 5.936 11.912 1.00 0.00 N ATOM 321 CA GLU A 23 -9.093 5.612 13.312 1.00 0.00 C ATOM 322 C GLU A 23 -9.379 6.874 14.121 1.00 0.00 C ATOM 323 O GLU A 23 -8.590 7.818 14.117 1.00 0.00 O ATOM 324 CB GLU A 23 -7.892 4.873 13.906 1.00 0.00 C ATOM 325 CG GLU A 23 -8.196 4.174 15.220 1.00 0.00 C ATOM 326 CD GLU A 23 -7.048 3.306 15.698 1.00 0.00 C ATOM 327 OE1 GLU A 23 -5.909 3.813 15.768 1.00 0.00 O ATOM 328 OE2 GLU A 23 -7.289 2.119 16.002 1.00 0.00 O ATOM 0 H GLU A 23 -7.870 6.118 11.686 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.968 4.964 13.360 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.537 4.136 13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.080 5.583 14.061 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.423 4.921 15.981 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.088 3.558 15.102 1.00 0.00 H new ATOM 335 N GLY A 24 -10.514 6.882 14.814 1.00 0.00 N ATOM 336 CA GLY A 24 -10.884 8.032 15.617 1.00 0.00 C ATOM 337 C GLY A 24 -11.968 8.869 14.967 1.00 0.00 C ATOM 338 O GLY A 24 -12.901 9.316 15.633 1.00 0.00 O ATOM 0 H GLY A 24 -11.183 6.113 14.833 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.228 7.693 16.594 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.003 8.652 15.786 1.00 0.00 H new ATOM 342 N TYR A 25 -11.844 9.083 13.662 1.00 0.00 N ATOM 343 CA TYR A 25 -12.818 9.876 12.921 1.00 0.00 C ATOM 344 C TYR A 25 -14.231 9.624 13.438 1.00 0.00 C ATOM 345 O TYR A 25 -14.538 8.539 13.932 1.00 0.00 O ATOM 346 CB TYR A 25 -12.744 9.550 11.429 1.00 0.00 C ATOM 347 CG TYR A 25 -11.668 10.318 10.694 1.00 0.00 C ATOM 348 CD1 TYR A 25 -11.905 11.603 10.221 1.00 0.00 C ATOM 349 CD2 TYR A 25 -10.416 9.758 10.471 1.00 0.00 C ATOM 350 CE1 TYR A 25 -10.926 12.308 9.549 1.00 0.00 C ATOM 351 CE2 TYR A 25 -9.431 10.457 9.801 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.690 11.731 9.342 1.00 0.00 C ATOM 353 OH TYR A 25 -8.712 12.430 8.673 1.00 0.00 O ATOM 0 H TYR A 25 -11.078 8.718 13.095 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.578 10.929 13.068 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.564 8.482 11.308 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.709 9.764 10.970 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.871 12.058 10.382 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.210 8.760 10.827 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.127 13.306 9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.463 10.008 9.637 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.207 11.817 8.098 1.00 0.00 H new ATOM 363 N GLN A 26 -15.087 10.634 13.320 1.00 0.00 N ATOM 364 CA GLN A 26 -16.467 10.523 13.775 1.00 0.00 C ATOM 365 C GLN A 26 -17.392 10.145 12.623 1.00 0.00 C ATOM 366 O GLN A 26 -17.208 10.597 11.492 1.00 0.00 O ATOM 367 CB GLN A 26 -16.927 11.840 14.403 1.00 0.00 C ATOM 368 CG GLN A 26 -16.039 12.314 15.542 1.00 0.00 C ATOM 369 CD GLN A 26 -16.283 13.765 15.906 1.00 0.00 C ATOM 370 OE1 GLN A 26 -17.092 14.069 16.783 1.00 0.00 O ATOM 371 NE2 GLN A 26 -15.582 14.671 15.234 1.00 0.00 N ATOM 0 H GLN A 26 -14.849 11.538 12.913 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.512 9.735 14.527 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.956 12.610 13.632 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -17.945 11.720 14.773 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.213 11.689 16.418 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.994 12.184 15.261 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.922 14.375 14.515 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.704 15.663 15.437 1.00 0.00 H new ATOM 380 N HIS A 27 -18.386 9.312 12.916 1.00 0.00 N ATOM 381 CA HIS A 27 -19.340 8.873 11.904 1.00 0.00 C ATOM 382 C HIS A 27 -18.623 8.193 10.742 1.00 0.00 C ATOM 383 O HIS A 27 -19.093 8.226 9.604 1.00 0.00 O ATOM 384 CB HIS A 27 -20.154 10.061 11.391 1.00 0.00 C ATOM 385 CG HIS A 27 -21.045 10.670 12.430 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.375 10.957 12.206 1.00 0.00 N ATOM 387 CD2 HIS A 27 -20.791 11.044 13.706 1.00 0.00 C ATOM 388 CE1 HIS A 27 -22.900 11.483 13.299 1.00 0.00 C ATOM 389 NE2 HIS A 27 -21.959 11.546 14.224 1.00 0.00 N ATOM 0 H HIS A 27 -18.552 8.928 13.846 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.015 8.152 12.364 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.471 10.824 11.017 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.763 9.736 10.547 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -19.845 10.963 14.221 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -23.924 11.806 13.416 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.081 11.909 15.170 1.00 0.00 H new ATOM 398 N VAL A 28 -17.483 7.576 11.035 1.00 0.00 N ATOM 399 CA VAL A 28 -16.702 6.887 10.014 1.00 0.00 C ATOM 400 C VAL A 28 -16.433 5.440 10.411 1.00 0.00 C ATOM 401 O VAL A 28 -15.458 5.146 11.102 1.00 0.00 O ATOM 402 CB VAL A 28 -15.358 7.597 9.762 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.456 6.737 8.890 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.587 8.960 9.127 1.00 0.00 C ATOM 0 H VAL A 28 -17.079 7.539 11.971 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.292 6.905 9.098 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.860 7.748 10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.511 7.254 8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.266 5.787 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.944 6.553 7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.627 9.448 8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.106 8.836 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.193 9.575 9.793 1.00 0.00 H new ATOM 414 N ASN A 29 -17.305 4.540 9.969 1.00 0.00 N ATOM 415 CA ASN A 29 -17.162 3.122 10.279 1.00 0.00 C ATOM 416 C ASN A 29 -16.732 2.336 9.043 1.00 0.00 C ATOM 417 O ASN A 29 -17.561 1.953 8.218 1.00 0.00 O ATOM 418 CB ASN A 29 -18.479 2.561 10.820 1.00 0.00 C ATOM 419 CG ASN A 29 -18.520 1.046 10.784 1.00 0.00 C ATOM 420 OD1 ASN A 29 -19.423 0.452 10.194 1.00 0.00 O ATOM 421 ND2 ASN A 29 -17.540 0.412 11.418 1.00 0.00 N ATOM 0 H ASN A 29 -18.117 4.767 9.396 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.390 3.019 11.042 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.622 2.901 11.846 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.308 2.958 10.234 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.515 -0.608 11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.812 0.945 11.894 1.00 0.00 H new ATOM 428 N VAL A 30 -15.429 2.099 8.923 1.00 0.00 N ATOM 429 CA VAL A 30 -14.889 1.358 7.790 1.00 0.00 C ATOM 430 C VAL A 30 -14.941 -0.145 8.041 1.00 0.00 C ATOM 431 O VAL A 30 -14.184 -0.677 8.854 1.00 0.00 O ATOM 432 CB VAL A 30 -13.433 1.768 7.495 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.864 0.933 6.358 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.354 3.252 7.169 1.00 0.00 C ATOM 0 H VAL A 30 -14.729 2.410 9.596 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.510 1.601 6.928 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.833 1.582 8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.835 1.236 6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.885 -0.121 6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.463 1.085 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.319 3.525 6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.966 3.465 6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.720 3.831 8.017 1.00 0.00 H new ATOM 444 N THR A 31 -15.839 -0.826 7.337 1.00 0.00 N ATOM 445 CA THR A 31 -15.992 -2.268 7.484 1.00 0.00 C ATOM 446 C THR A 31 -15.755 -2.983 6.158 1.00 0.00 C ATOM 447 O THR A 31 -15.335 -4.140 6.133 1.00 0.00 O ATOM 448 CB THR A 31 -17.393 -2.635 8.008 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.396 -2.126 7.123 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.610 -2.075 9.406 1.00 0.00 C ATOM 0 H THR A 31 -16.472 -0.402 6.659 1.00 0.00 H new ATOM 0 HA THR A 31 -15.245 -2.593 8.209 1.00 0.00 H new ATOM 0 HB THR A 31 -17.468 -3.722 8.053 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.284 -2.365 7.462 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.606 -2.346 9.756 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.862 -2.488 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.517 -0.989 9.381 1.00 0.00 H new ATOM 458 N ASP A 32 -16.026 -2.288 5.059 1.00 0.00 N ATOM 459 CA ASP A 32 -15.840 -2.857 3.730 1.00 0.00 C ATOM 460 C ASP A 32 -15.077 -1.892 2.828 1.00 0.00 C ATOM 461 O ASP A 32 -14.706 -0.795 3.247 1.00 0.00 O ATOM 462 CB ASP A 32 -17.194 -3.197 3.104 1.00 0.00 C ATOM 463 CG ASP A 32 -17.919 -4.296 3.854 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.273 -5.310 4.193 1.00 0.00 O ATOM 465 OD2 ASP A 32 -19.133 -4.142 4.104 1.00 0.00 O ATOM 0 H ASP A 32 -16.375 -1.330 5.062 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.255 -3.771 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.817 -2.303 3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.045 -3.505 2.069 1.00 0.00 H new ATOM 470 N LEU A 33 -14.844 -2.308 1.588 1.00 0.00 N ATOM 471 CA LEU A 33 -14.123 -1.481 0.626 1.00 0.00 C ATOM 472 C LEU A 33 -15.016 -1.117 -0.556 1.00 0.00 C ATOM 473 O LEU A 33 -14.531 -0.845 -1.655 1.00 0.00 O ATOM 474 CB LEU A 33 -12.875 -2.212 0.130 1.00 0.00 C ATOM 475 CG LEU A 33 -11.841 -2.575 1.196 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.789 -3.511 0.623 1.00 0.00 C ATOM 477 CD2 LEU A 33 -11.191 -1.320 1.759 1.00 0.00 C ATOM 0 H LEU A 33 -15.144 -3.213 1.225 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.823 -0.561 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.190 -3.128 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.389 -1.590 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.352 -3.091 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.062 -3.758 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.268 -4.424 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.282 -3.023 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.458 -1.598 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.694 -0.776 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.954 -0.685 2.209 1.00 0.00 H new ATOM 489 N THR A 34 -16.325 -1.110 -0.322 1.00 0.00 N ATOM 490 CA THR A 34 -17.286 -0.777 -1.366 1.00 0.00 C ATOM 491 C THR A 34 -18.291 0.260 -0.878 1.00 0.00 C ATOM 492 O THR A 34 -18.604 1.218 -1.585 1.00 0.00 O ATOM 493 CB THR A 34 -18.048 -2.027 -1.847 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.405 -2.845 -0.727 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.203 -2.834 -2.822 1.00 0.00 C ATOM 0 H THR A 34 -16.744 -1.331 0.581 1.00 0.00 H new ATOM 0 HA THR A 34 -16.717 -0.364 -2.199 1.00 0.00 H new ATOM 0 HB THR A 34 -18.952 -1.699 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.890 -3.636 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.762 -3.711 -3.148 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.958 -2.218 -3.687 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.283 -3.151 -2.330 1.00 0.00 H new ATOM 503 N THR A 35 -18.796 0.063 0.336 1.00 0.00 N ATOM 504 CA THR A 35 -19.766 0.981 0.919 1.00 0.00 C ATOM 505 C THR A 35 -19.077 2.048 1.761 1.00 0.00 C ATOM 506 O THR A 35 -19.500 3.204 1.784 1.00 0.00 O ATOM 507 CB THR A 35 -20.790 0.234 1.795 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.115 -0.487 2.831 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.619 -0.728 0.957 1.00 0.00 C ATOM 0 H THR A 35 -18.549 -0.725 0.935 1.00 0.00 H new ATOM 0 HA THR A 35 -20.288 1.458 0.089 1.00 0.00 H new ATOM 0 HB THR A 35 -21.458 0.970 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.773 -0.958 3.384 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.335 -1.244 1.597 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.155 -0.172 0.188 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.962 -1.459 0.485 1.00 0.00 H new ATOM 517 N SER A 36 -18.011 1.654 2.451 1.00 0.00 N ATOM 518 CA SER A 36 -17.265 2.577 3.298 1.00 0.00 C ATOM 519 C SER A 36 -16.636 3.691 2.465 1.00 0.00 C ATOM 520 O SER A 36 -16.326 4.765 2.979 1.00 0.00 O ATOM 521 CB SER A 36 -16.178 1.828 4.071 1.00 0.00 C ATOM 522 OG SER A 36 -16.746 0.912 4.992 1.00 0.00 O ATOM 0 H SER A 36 -17.645 0.702 2.440 1.00 0.00 H new ATOM 0 HA SER A 36 -17.962 3.025 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.533 1.294 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.549 2.541 4.604 1.00 0.00 H new ATOM 0 HG SER A 36 -17.306 1.398 5.633 1.00 0.00 H new ATOM 528 N TRP A 37 -16.452 3.425 1.177 1.00 0.00 N ATOM 529 CA TRP A 37 -15.861 4.404 0.272 1.00 0.00 C ATOM 530 C TRP A 37 -16.844 4.792 -0.827 1.00 0.00 C ATOM 531 O TRP A 37 -16.445 5.086 -1.954 1.00 0.00 O ATOM 532 CB TRP A 37 -14.578 3.847 -0.347 1.00 0.00 C ATOM 533 CG TRP A 37 -13.737 3.075 0.623 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.062 1.898 1.235 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.432 3.427 1.095 1.00 0.00 C ATOM 536 NE1 TRP A 37 -13.038 1.497 2.058 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.026 2.417 1.990 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.566 4.495 0.847 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.793 2.448 2.636 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.343 4.524 1.490 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.965 3.506 2.375 1.00 0.00 C ATOM 0 H TRP A 37 -16.703 2.540 0.736 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.620 5.297 0.849 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.838 3.201 -1.185 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -13.990 4.671 -0.751 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.988 1.361 1.093 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -13.032 0.651 2.628 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.847 5.284 0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.500 1.664 3.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.667 5.346 1.307 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.002 3.557 2.861 1.00 0.00 H new ATOM 552 N ARG A 38 -18.130 4.792 -0.492 1.00 0.00 N ATOM 553 CA ARG A 38 -19.170 5.144 -1.452 1.00 0.00 C ATOM 554 C ARG A 38 -19.362 6.656 -1.515 1.00 0.00 C ATOM 555 O ARG A 38 -19.503 7.229 -2.596 1.00 0.00 O ATOM 556 CB ARG A 38 -20.489 4.466 -1.078 1.00 0.00 C ATOM 557 CG ARG A 38 -21.196 5.117 0.099 1.00 0.00 C ATOM 558 CD ARG A 38 -22.483 4.386 0.450 1.00 0.00 C ATOM 559 NE ARG A 38 -23.556 4.681 -0.496 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.269 5.802 -0.472 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.024 6.728 0.444 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.229 5.997 -1.367 1.00 0.00 N ATOM 0 H ARG A 38 -18.477 4.552 0.437 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.856 4.794 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.153 4.480 -1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.296 3.420 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.533 5.124 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.420 6.157 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.297 3.312 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.798 4.668 1.455 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.770 3.989 -1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -23.286 6.581 1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -24.573 7.588 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.420 5.286 -2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -25.776 6.858 -1.349 1.00 0.00 H new ATOM 576 N SER A 39 -19.368 7.296 -0.350 1.00 0.00 N ATOM 577 CA SER A 39 -19.548 8.741 -0.273 1.00 0.00 C ATOM 578 C SER A 39 -18.222 9.465 -0.483 1.00 0.00 C ATOM 579 O SER A 39 -18.162 10.490 -1.161 1.00 0.00 O ATOM 580 CB SER A 39 -20.145 9.130 1.081 1.00 0.00 C ATOM 581 OG SER A 39 -20.726 10.421 1.030 1.00 0.00 O ATOM 0 H SER A 39 -19.250 6.837 0.553 1.00 0.00 H new ATOM 0 HA SER A 39 -20.235 9.040 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.900 8.399 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.368 9.108 1.845 1.00 0.00 H new ATOM 0 HG SER A 39 -21.279 10.562 1.826 1.00 0.00 H new ATOM 587 N GLY A 40 -17.159 8.924 0.104 1.00 0.00 N ATOM 588 CA GLY A 40 -15.848 9.531 -0.030 1.00 0.00 C ATOM 589 C GLY A 40 -15.198 9.810 1.311 1.00 0.00 C ATOM 590 O GLY A 40 -13.976 9.731 1.445 1.00 0.00 O ATOM 0 H GLY A 40 -17.183 8.076 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.204 8.872 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.938 10.463 -0.588 1.00 0.00 H new ATOM 594 N LEU A 41 -16.015 10.138 2.305 1.00 0.00 N ATOM 595 CA LEU A 41 -15.513 10.431 3.643 1.00 0.00 C ATOM 596 C LEU A 41 -14.346 9.516 4.000 1.00 0.00 C ATOM 597 O LEU A 41 -13.317 9.971 4.497 1.00 0.00 O ATOM 598 CB LEU A 41 -16.632 10.277 4.675 1.00 0.00 C ATOM 599 CG LEU A 41 -17.869 11.148 4.459 1.00 0.00 C ATOM 600 CD1 LEU A 41 -18.969 10.765 5.437 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.515 12.621 4.602 1.00 0.00 C ATOM 0 H LEU A 41 -17.028 10.208 2.210 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.158 11.462 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.945 9.233 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.223 10.500 5.661 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.236 10.979 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.842 11.396 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.242 9.720 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.613 10.904 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.408 13.227 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.123 12.805 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.761 12.888 3.861 1.00 0.00 H new ATOM 613 N ALA A 42 -14.514 8.223 3.740 1.00 0.00 N ATOM 614 CA ALA A 42 -13.474 7.244 4.030 1.00 0.00 C ATOM 615 C ALA A 42 -12.114 7.726 3.536 1.00 0.00 C ATOM 616 O ALA A 42 -11.183 7.903 4.323 1.00 0.00 O ATOM 617 CB ALA A 42 -13.821 5.903 3.401 1.00 0.00 C ATOM 0 H ALA A 42 -15.361 7.830 3.329 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.416 7.121 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.035 5.182 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.768 5.546 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.908 6.020 2.321 1.00 0.00 H new ATOM 623 N LEU A 43 -12.005 7.936 2.229 1.00 0.00 N ATOM 624 CA LEU A 43 -10.757 8.397 1.630 1.00 0.00 C ATOM 625 C LEU A 43 -10.382 9.781 2.150 1.00 0.00 C ATOM 626 O LEU A 43 -9.310 9.968 2.727 1.00 0.00 O ATOM 627 CB LEU A 43 -10.882 8.430 0.106 1.00 0.00 C ATOM 628 CG LEU A 43 -9.668 8.961 -0.656 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.435 8.127 -0.345 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.941 8.974 -2.153 1.00 0.00 C ATOM 0 H LEU A 43 -12.765 7.795 1.564 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.969 7.698 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.091 7.419 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.745 9.042 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.480 9.985 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.581 8.520 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.227 8.170 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.612 7.092 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.066 9.355 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.156 7.961 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.797 9.616 -2.361 1.00 0.00 H new ATOM 642 N CYS A 44 -11.271 10.746 1.945 1.00 0.00 N ATOM 643 CA CYS A 44 -11.034 12.113 2.395 1.00 0.00 C ATOM 644 C CYS A 44 -10.335 12.125 3.750 1.00 0.00 C ATOM 645 O CYS A 44 -9.553 13.028 4.049 1.00 0.00 O ATOM 646 CB CYS A 44 -12.354 12.880 2.482 1.00 0.00 C ATOM 647 SG CYS A 44 -13.141 13.179 0.881 1.00 0.00 S ATOM 0 H CYS A 44 -12.163 10.607 1.470 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.386 12.602 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.044 12.323 3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.174 13.837 2.971 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.403 13.434 1.059 1.00 0.00 H new ATOM 653 N ALA A 45 -10.623 11.118 4.568 1.00 0.00 N ATOM 654 CA ALA A 45 -10.021 11.013 5.892 1.00 0.00 C ATOM 655 C ALA A 45 -8.518 10.776 5.795 1.00 0.00 C ATOM 656 O ALA A 45 -7.727 11.485 6.418 1.00 0.00 O ATOM 657 CB ALA A 45 -10.683 9.896 6.685 1.00 0.00 C ATOM 0 H ALA A 45 -11.269 10.363 4.337 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.180 11.957 6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.224 9.829 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.747 10.108 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.553 8.950 6.159 1.00 0.00 H new ATOM 663 N ILE A 46 -8.131 9.776 5.011 1.00 0.00 N ATOM 664 CA ILE A 46 -6.722 9.446 4.832 1.00 0.00 C ATOM 665 C ILE A 46 -5.924 10.668 4.388 1.00 0.00 C ATOM 666 O ILE A 46 -4.817 10.907 4.871 1.00 0.00 O ATOM 667 CB ILE A 46 -6.534 8.320 3.799 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.259 7.053 4.255 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.054 8.042 3.583 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.374 6.000 3.175 1.00 0.00 C ATOM 0 H ILE A 46 -8.773 9.180 4.489 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.352 9.105 5.799 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.966 8.641 2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.731 6.629 5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.258 7.320 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.937 7.244 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.564 8.944 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.599 7.738 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.899 5.130 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.929 6.406 2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.377 5.705 2.847 1.00 0.00 H new ATOM 682 N ILE A 47 -6.495 11.438 3.468 1.00 0.00 N ATOM 683 CA ILE A 47 -5.838 12.636 2.962 1.00 0.00 C ATOM 684 C ILE A 47 -5.830 13.744 4.010 1.00 0.00 C ATOM 685 O ILE A 47 -4.771 14.165 4.476 1.00 0.00 O ATOM 686 CB ILE A 47 -6.524 13.158 1.685 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.554 12.066 0.614 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.808 14.396 1.167 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.558 12.327 -0.487 1.00 0.00 C ATOM 0 H ILE A 47 -7.411 11.254 3.058 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.812 12.356 2.725 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.551 13.431 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.561 11.972 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.785 11.111 1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.305 14.753 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.834 15.176 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.772 14.148 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.524 11.513 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.559 12.391 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.316 13.266 -0.986 1.00 0.00 H new ATOM 701 N HIS A 48 -7.019 14.211 4.378 1.00 0.00 N ATOM 702 CA HIS A 48 -7.150 15.268 5.374 1.00 0.00 C ATOM 703 C HIS A 48 -6.194 15.038 6.541 1.00 0.00 C ATOM 704 O HIS A 48 -5.523 15.963 6.998 1.00 0.00 O ATOM 705 CB HIS A 48 -8.589 15.341 5.886 1.00 0.00 C ATOM 706 CG HIS A 48 -8.707 15.924 7.260 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.551 15.179 8.410 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.966 17.190 7.666 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.711 15.961 9.463 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.963 17.186 9.039 1.00 0.00 N ATOM 0 H HIS A 48 -7.905 13.874 4.001 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.893 16.214 4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.182 15.939 5.194 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.017 14.338 5.888 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -8.344 14.181 8.443 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.142 18.044 7.028 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.647 15.651 10.496 1.00 0.00 H new ATOM 719 N ARG A 49 -6.137 13.798 7.017 1.00 0.00 N ATOM 720 CA ARG A 49 -5.265 13.447 8.131 1.00 0.00 C ATOM 721 C ARG A 49 -3.909 14.133 7.997 1.00 0.00 C ATOM 722 O ARG A 49 -3.521 14.935 8.846 1.00 0.00 O ATOM 723 CB ARG A 49 -5.077 11.930 8.200 1.00 0.00 C ATOM 724 CG ARG A 49 -4.414 11.457 9.484 1.00 0.00 C ATOM 725 CD ARG A 49 -5.218 11.864 10.708 1.00 0.00 C ATOM 726 NE ARG A 49 -5.049 10.922 11.812 1.00 0.00 N ATOM 727 CZ ARG A 49 -5.467 11.158 13.050 1.00 0.00 C ATOM 728 NH1 ARG A 49 -6.076 12.299 13.342 1.00 0.00 N ATOM 729 NH2 ARG A 49 -5.277 10.252 14.001 1.00 0.00 N ATOM 0 H ARG A 49 -6.684 13.020 6.648 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.737 13.790 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.049 11.447 8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.475 11.608 7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.307 10.372 9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.410 11.875 9.552 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.910 12.859 11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.274 11.927 10.444 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.584 10.034 11.621 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.225 12.998 12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.396 12.477 14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.809 9.373 13.781 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.599 10.435 14.951 1.00 0.00 H new ATOM 743 N PHE A 50 -3.192 13.811 6.925 1.00 0.00 N ATOM 744 CA PHE A 50 -1.878 14.395 6.680 1.00 0.00 C ATOM 745 C PHE A 50 -1.998 15.874 6.325 1.00 0.00 C ATOM 746 O PHE A 50 -1.277 16.713 6.864 1.00 0.00 O ATOM 747 CB PHE A 50 -1.165 13.644 5.554 1.00 0.00 C ATOM 748 CG PHE A 50 -0.803 12.231 5.911 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.755 11.226 5.870 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.491 11.908 6.289 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.425 9.925 6.198 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.827 10.608 6.617 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.132 9.616 6.573 1.00 0.00 C ATOM 0 H PHE A 50 -3.499 13.149 6.212 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.292 14.306 7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.805 13.635 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.258 14.186 5.284 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.768 11.462 5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.245 12.680 6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.177 9.151 6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.839 10.368 6.908 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.128 8.600 6.831 1.00 0.00 H new ATOM 763 N ARG A 51 -2.915 16.185 5.414 1.00 0.00 N ATOM 764 CA ARG A 51 -3.128 17.562 4.984 1.00 0.00 C ATOM 765 C ARG A 51 -4.607 17.931 5.059 1.00 0.00 C ATOM 766 O ARG A 51 -5.362 17.767 4.100 1.00 0.00 O ATOM 767 CB ARG A 51 -2.614 17.759 3.557 1.00 0.00 C ATOM 768 CG ARG A 51 -1.111 17.573 3.420 1.00 0.00 C ATOM 769 CD ARG A 51 -0.347 18.721 4.060 1.00 0.00 C ATOM 770 NE ARG A 51 -0.312 19.901 3.200 1.00 0.00 N ATOM 771 CZ ARG A 51 0.473 20.010 2.134 1.00 0.00 C ATOM 772 NH1 ARG A 51 1.282 19.015 1.797 1.00 0.00 N ATOM 773 NH2 ARG A 51 0.448 21.116 1.401 1.00 0.00 N ATOM 0 H ARG A 51 -3.522 15.502 4.960 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.573 18.216 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.120 17.055 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.880 18.761 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.816 16.633 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.847 17.502 2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.811 18.980 5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.672 18.401 4.279 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.924 20.684 3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.303 18.163 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.883 19.102 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.174 21.883 1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.051 21.199 0.583 1.00 0.00 H new ATOM 787 N PRO A 52 -5.032 18.441 6.224 1.00 0.00 N ATOM 788 CA PRO A 52 -6.423 18.844 6.452 1.00 0.00 C ATOM 789 C PRO A 52 -6.804 20.088 5.656 1.00 0.00 C ATOM 790 O PRO A 52 -7.982 20.417 5.528 1.00 0.00 O ATOM 791 CB PRO A 52 -6.466 19.136 7.954 1.00 0.00 C ATOM 792 CG PRO A 52 -5.064 19.487 8.312 1.00 0.00 C ATOM 793 CD PRO A 52 -4.187 18.664 7.409 1.00 0.00 C ATOM 0 HA PRO A 52 -7.128 18.076 6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.149 19.955 8.179 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.813 18.269 8.516 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.880 20.552 8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.862 19.266 9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.267 19.190 7.153 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.897 17.724 7.878 1.00 0.00 H new ATOM 801 N GLU A 53 -5.798 20.775 5.123 1.00 0.00 N ATOM 802 CA GLU A 53 -6.029 21.983 4.341 1.00 0.00 C ATOM 803 C GLU A 53 -6.666 21.647 2.995 1.00 0.00 C ATOM 804 O GLU A 53 -7.550 22.359 2.518 1.00 0.00 O ATOM 805 CB GLU A 53 -4.714 22.735 4.121 1.00 0.00 C ATOM 806 CG GLU A 53 -4.836 23.906 3.161 1.00 0.00 C ATOM 807 CD GLU A 53 -5.292 25.179 3.848 1.00 0.00 C ATOM 808 OE1 GLU A 53 -6.206 25.099 4.696 1.00 0.00 O ATOM 809 OE2 GLU A 53 -4.737 26.253 3.538 1.00 0.00 O ATOM 0 H GLU A 53 -4.816 20.515 5.219 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.715 22.620 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.349 23.100 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.967 22.039 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.872 24.081 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.542 23.651 2.371 1.00 0.00 H new ATOM 816 N LEU A 54 -6.211 20.556 2.389 1.00 0.00 N ATOM 817 CA LEU A 54 -6.735 20.123 1.098 1.00 0.00 C ATOM 818 C LEU A 54 -8.199 19.714 1.214 1.00 0.00 C ATOM 819 O LEU A 54 -9.032 20.111 0.399 1.00 0.00 O ATOM 820 CB LEU A 54 -5.909 18.956 0.555 1.00 0.00 C ATOM 821 CG LEU A 54 -4.393 19.160 0.532 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.689 17.881 0.108 1.00 0.00 C ATOM 823 CD2 LEU A 54 -4.023 20.308 -0.396 1.00 0.00 C ATOM 0 H LEU A 54 -5.481 19.955 2.771 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.665 20.962 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.128 18.072 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.242 18.743 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.065 19.414 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.611 18.045 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.928 17.084 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.022 17.596 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.941 20.439 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.365 20.084 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.498 21.225 -0.047 1.00 0.00 H new ATOM 835 N ILE A 55 -8.507 18.919 2.234 1.00 0.00 N ATOM 836 CA ILE A 55 -9.871 18.459 2.459 1.00 0.00 C ATOM 837 C ILE A 55 -10.344 18.808 3.866 1.00 0.00 C ATOM 838 O ILE A 55 -9.661 18.525 4.849 1.00 0.00 O ATOM 839 CB ILE A 55 -9.994 16.938 2.251 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.502 16.550 0.855 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.433 16.489 2.455 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.469 15.057 0.619 1.00 0.00 C ATOM 0 H ILE A 55 -7.830 18.580 2.917 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.500 18.969 1.730 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.369 16.435 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.148 17.013 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.501 16.955 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.503 15.412 2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.751 16.735 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -12.078 16.998 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.110 14.856 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.800 14.589 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.473 14.648 0.736 1.00 0.00 H new ATOM 854 N ASN A 56 -11.519 19.423 3.953 1.00 0.00 N ATOM 855 CA ASN A 56 -12.085 19.810 5.241 1.00 0.00 C ATOM 856 C ASN A 56 -13.282 18.932 5.595 1.00 0.00 C ATOM 857 O ASN A 56 -14.431 19.301 5.348 1.00 0.00 O ATOM 858 CB ASN A 56 -12.507 21.280 5.214 1.00 0.00 C ATOM 859 CG ASN A 56 -12.931 21.736 3.831 1.00 0.00 C ATOM 860 OD1 ASN A 56 -12.396 22.706 3.294 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.897 21.035 3.248 1.00 0.00 N ATOM 0 H ASN A 56 -12.097 19.664 3.148 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.318 19.673 6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.331 21.431 5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.679 21.899 5.559 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.224 21.294 2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.312 20.238 3.731 1.00 0.00 H new ATOM 868 N PHE A 57 -13.005 17.770 6.175 1.00 0.00 N ATOM 869 CA PHE A 57 -14.058 16.838 6.564 1.00 0.00 C ATOM 870 C PHE A 57 -15.241 17.581 7.177 1.00 0.00 C ATOM 871 O PHE A 57 -16.394 17.335 6.822 1.00 0.00 O ATOM 872 CB PHE A 57 -13.517 15.809 7.558 1.00 0.00 C ATOM 873 CG PHE A 57 -14.327 14.545 7.612 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.515 14.498 8.324 1.00 0.00 C ATOM 875 CD2 PHE A 57 -13.900 13.404 6.952 1.00 0.00 C ATOM 876 CE1 PHE A 57 -16.261 13.336 8.376 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.643 12.239 7.001 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.826 12.206 7.713 1.00 0.00 C ATOM 0 H PHE A 57 -12.060 17.450 6.387 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.400 16.321 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.490 15.562 7.290 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.488 16.256 8.552 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.861 15.379 8.844 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.976 13.425 6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.185 13.312 8.935 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.299 11.356 6.483 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.410 11.298 7.751 1.00 0.00 H new ATOM 888 N ASP A 58 -14.948 18.490 8.100 1.00 0.00 N ATOM 889 CA ASP A 58 -15.986 19.269 8.764 1.00 0.00 C ATOM 890 C ASP A 58 -17.093 19.646 7.783 1.00 0.00 C ATOM 891 O ASP A 58 -18.278 19.542 8.100 1.00 0.00 O ATOM 892 CB ASP A 58 -15.387 20.532 9.385 1.00 0.00 C ATOM 893 CG ASP A 58 -14.614 20.241 10.656 1.00 0.00 C ATOM 894 OD1 ASP A 58 -15.142 19.507 11.518 1.00 0.00 O ATOM 895 OD2 ASP A 58 -13.480 20.746 10.789 1.00 0.00 O ATOM 0 H ASP A 58 -13.999 18.706 8.406 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.418 18.655 9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.726 21.010 8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.186 21.240 9.603 1.00 0.00 H new ATOM 900 N SER A 59 -16.698 20.085 6.593 1.00 0.00 N ATOM 901 CA SER A 59 -17.656 20.481 5.568 1.00 0.00 C ATOM 902 C SER A 59 -18.229 19.259 4.858 1.00 0.00 C ATOM 903 O SER A 59 -19.440 19.156 4.653 1.00 0.00 O ATOM 904 CB SER A 59 -16.991 21.411 4.550 1.00 0.00 C ATOM 905 OG SER A 59 -17.960 22.121 3.798 1.00 0.00 O ATOM 0 H SER A 59 -15.721 20.176 6.315 1.00 0.00 H new ATOM 0 HA SER A 59 -18.473 21.012 6.056 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.340 22.116 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.360 20.829 3.878 1.00 0.00 H new ATOM 0 HG SER A 59 -17.510 22.709 3.156 1.00 0.00 H new ATOM 911 N LEU A 60 -17.352 18.334 4.484 1.00 0.00 N ATOM 912 CA LEU A 60 -17.769 17.117 3.797 1.00 0.00 C ATOM 913 C LEU A 60 -18.902 16.427 4.549 1.00 0.00 C ATOM 914 O LEU A 60 -18.683 15.808 5.589 1.00 0.00 O ATOM 915 CB LEU A 60 -16.585 16.160 3.647 1.00 0.00 C ATOM 916 CG LEU A 60 -15.339 16.735 2.972 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.139 15.830 3.207 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.581 16.927 1.482 1.00 0.00 C ATOM 0 H LEU A 60 -16.347 18.404 4.645 1.00 0.00 H new ATOM 0 HA LEU A 60 -18.131 17.395 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.305 15.802 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.915 15.292 3.076 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.126 17.708 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.262 16.255 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.953 15.743 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.341 14.842 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.684 17.337 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.819 15.966 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.413 17.615 1.334 1.00 0.00 H new ATOM 930 N ASN A 61 -20.114 16.538 4.015 1.00 0.00 N ATOM 931 CA ASN A 61 -21.282 15.924 4.636 1.00 0.00 C ATOM 932 C ASN A 61 -21.790 14.753 3.800 1.00 0.00 C ATOM 933 O ASN A 61 -21.706 14.773 2.572 1.00 0.00 O ATOM 934 CB ASN A 61 -22.395 16.959 4.813 1.00 0.00 C ATOM 935 CG ASN A 61 -23.774 16.328 4.837 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.994 15.316 5.502 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.710 16.924 4.108 1.00 0.00 N ATOM 0 H ASN A 61 -20.313 17.047 3.154 1.00 0.00 H new ATOM 0 HA ASN A 61 -20.986 15.547 5.615 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.233 17.507 5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.345 17.685 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.656 16.544 4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.483 17.762 3.572 1.00 0.00 H new ATOM 944 N GLU A 62 -22.317 13.736 4.474 1.00 0.00 N ATOM 945 CA GLU A 62 -22.838 12.557 3.793 1.00 0.00 C ATOM 946 C GLU A 62 -23.589 12.949 2.524 1.00 0.00 C ATOM 947 O GLU A 62 -23.257 12.496 1.428 1.00 0.00 O ATOM 948 CB GLU A 62 -23.763 11.769 4.724 1.00 0.00 C ATOM 949 CG GLU A 62 -24.111 10.384 4.206 1.00 0.00 C ATOM 950 CD GLU A 62 -22.953 9.412 4.315 1.00 0.00 C ATOM 951 OE1 GLU A 62 -21.909 9.660 3.676 1.00 0.00 O ATOM 952 OE2 GLU A 62 -23.090 8.404 5.039 1.00 0.00 O ATOM 0 H GLU A 62 -22.394 13.705 5.491 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.993 11.927 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.287 11.674 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -24.683 12.334 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.961 9.994 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.422 10.458 3.164 1.00 0.00 H new ATOM 959 N ASP A 63 -24.603 13.793 2.681 1.00 0.00 N ATOM 960 CA ASP A 63 -25.402 14.247 1.549 1.00 0.00 C ATOM 961 C ASP A 63 -24.508 14.737 0.414 1.00 0.00 C ATOM 962 O ASP A 63 -24.841 14.586 -0.761 1.00 0.00 O ATOM 963 CB ASP A 63 -26.353 15.363 1.984 1.00 0.00 C ATOM 964 CG ASP A 63 -27.366 15.712 0.911 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.699 14.824 0.098 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.827 16.872 0.885 1.00 0.00 O ATOM 0 H ASP A 63 -24.891 14.176 3.581 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.987 13.402 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.878 15.057 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.774 16.252 2.236 1.00 0.00 H new ATOM 971 N ASP A 64 -23.372 15.324 0.774 1.00 0.00 N ATOM 972 CA ASP A 64 -22.429 15.836 -0.213 1.00 0.00 C ATOM 973 C ASP A 64 -21.508 14.727 -0.712 1.00 0.00 C ATOM 974 O ASP A 64 -20.294 14.908 -0.800 1.00 0.00 O ATOM 975 CB ASP A 64 -21.601 16.975 0.384 1.00 0.00 C ATOM 976 CG ASP A 64 -22.453 18.165 0.781 1.00 0.00 C ATOM 977 OD1 ASP A 64 -23.354 18.536 0.000 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.218 18.724 1.872 1.00 0.00 O ATOM 0 H ASP A 64 -23.082 15.457 1.743 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.999 16.218 -1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.063 16.609 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -20.852 17.294 -0.341 1.00 0.00 H new ATOM 983 N ALA A 65 -22.094 13.579 -1.034 1.00 0.00 N ATOM 984 CA ALA A 65 -21.326 12.441 -1.524 1.00 0.00 C ATOM 985 C ALA A 65 -20.631 12.773 -2.840 1.00 0.00 C ATOM 986 O ALA A 65 -19.402 12.800 -2.915 1.00 0.00 O ATOM 987 CB ALA A 65 -22.230 11.228 -1.694 1.00 0.00 C ATOM 0 H ALA A 65 -23.098 13.412 -0.964 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.558 12.208 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.643 10.386 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.676 10.969 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.019 11.460 -2.410 1.00 0.00 H new ATOM 993 N VAL A 66 -21.424 13.026 -3.876 1.00 0.00 N ATOM 994 CA VAL A 66 -20.884 13.357 -5.189 1.00 0.00 C ATOM 995 C VAL A 66 -19.668 14.268 -5.070 1.00 0.00 C ATOM 996 O VAL A 66 -18.614 13.990 -5.640 1.00 0.00 O ATOM 997 CB VAL A 66 -21.942 14.044 -6.074 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.347 14.421 -7.422 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.155 13.143 -6.250 1.00 0.00 C ATOM 0 H VAL A 66 -22.443 13.008 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.586 12.418 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.267 14.959 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.109 14.905 -8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.512 15.106 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.993 13.523 -7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.892 13.644 -6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.849 12.210 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.594 12.929 -5.275 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.822 15.358 -4.323 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.736 16.310 -4.129 1.00 0.00 C ATOM 1011 C GLU A 67 -17.580 15.669 -3.366 1.00 0.00 C ATOM 1012 O GLU A 67 -16.417 15.825 -3.735 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.238 17.543 -3.375 1.00 0.00 C ATOM 1014 CG GLU A 67 -19.936 18.558 -4.264 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.084 19.913 -3.598 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -19.127 20.712 -3.659 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -21.158 20.173 -3.016 1.00 0.00 O ATOM 0 H GLU A 67 -20.688 15.602 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.375 16.616 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.926 17.224 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.394 18.025 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.373 18.672 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.922 18.181 -4.535 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.910 14.948 -2.300 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.900 14.284 -1.484 1.00 0.00 C ATOM 1026 C ASN A 68 -15.978 13.430 -2.348 1.00 0.00 C ATOM 1027 O ASN A 68 -14.761 13.609 -2.340 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.568 13.414 -0.417 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.280 14.238 0.639 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.980 15.416 0.829 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.228 13.619 1.332 1.00 0.00 N ATOM 0 H ASN A 68 -18.869 14.808 -1.981 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.301 15.052 -0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.283 12.744 -0.894 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.815 12.788 0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.741 14.122 2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.443 12.641 1.140 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.567 12.501 -3.094 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.798 11.619 -3.964 1.00 0.00 C ATOM 1040 C ASN A 69 -14.958 12.425 -4.951 1.00 0.00 C ATOM 1041 O ASN A 69 -13.731 12.339 -4.950 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.733 10.676 -4.724 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.431 9.690 -3.807 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.786 8.869 -3.156 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.755 9.768 -3.753 1.00 0.00 N ATOM 0 H ASN A 69 -17.574 12.340 -3.113 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.127 11.029 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.480 11.263 -5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.162 10.129 -5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.279 9.131 -3.154 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.248 10.465 -4.311 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.630 13.207 -5.790 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.945 14.028 -6.781 1.00 0.00 C ATOM 1054 C GLN A 70 -13.775 14.778 -6.153 1.00 0.00 C ATOM 1055 O GLN A 70 -12.690 14.853 -6.731 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.922 15.021 -7.414 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.555 15.412 -8.837 1.00 0.00 C ATOM 1058 CD GLN A 70 -14.096 15.796 -8.979 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -13.707 16.925 -8.676 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -13.279 14.858 -9.442 1.00 0.00 N ATOM 0 H GLN A 70 -16.647 13.289 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.555 13.368 -7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.922 14.586 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.964 15.920 -6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.775 14.580 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.179 16.248 -9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.644 13.936 -9.681 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.286 15.059 -9.559 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.002 15.331 -4.967 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.966 16.076 -4.259 1.00 0.00 C ATOM 1071 C LEU A 71 -11.710 15.229 -4.083 1.00 0.00 C ATOM 1072 O LEU A 71 -10.662 15.529 -4.654 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.482 16.534 -2.894 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.511 17.364 -2.054 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -12.110 18.629 -2.796 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -13.131 17.708 -0.707 1.00 0.00 C ATOM 0 H LEU A 71 -14.894 15.278 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.710 16.951 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.389 17.118 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.765 15.652 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.614 16.770 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.419 19.207 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.626 18.362 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.998 19.226 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.426 18.299 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.044 18.282 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.367 16.789 -0.170 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.824 14.168 -3.291 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.699 13.275 -3.043 1.00 0.00 C ATOM 1090 C ALA A 72 -9.980 12.925 -4.341 1.00 0.00 C ATOM 1091 O ALA A 72 -8.754 13.003 -4.424 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.174 12.010 -2.343 1.00 0.00 C ATOM 0 H ALA A 72 -12.684 13.906 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.992 13.792 -2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.324 11.352 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.636 12.272 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.903 11.498 -2.972 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.750 12.539 -5.353 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.186 12.175 -6.648 1.00 0.00 C ATOM 1100 C PHE A 73 -9.378 13.330 -7.233 1.00 0.00 C ATOM 1101 O PHE A 73 -8.265 13.138 -7.723 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.298 11.773 -7.618 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.035 10.532 -7.203 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.348 9.431 -6.718 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.416 10.465 -7.300 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.023 8.288 -6.335 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.097 9.325 -6.918 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.399 8.234 -6.436 1.00 0.00 C ATOM 0 H PHE A 73 -11.766 12.470 -5.301 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.519 11.326 -6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -12.008 12.595 -7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.868 11.617 -8.607 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.272 9.467 -6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.966 11.314 -7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.475 7.438 -5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.173 9.287 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.929 7.341 -6.139 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.948 14.529 -7.179 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.282 15.716 -7.703 1.00 0.00 C ATOM 1120 C ASP A 74 -7.995 16.001 -6.934 1.00 0.00 C ATOM 1121 O ASP A 74 -6.911 16.054 -7.515 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.215 16.926 -7.626 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.712 18.097 -8.447 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.818 18.041 -9.690 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -9.213 19.071 -7.845 1.00 0.00 O ATOM 0 H ASP A 74 -10.869 14.705 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.027 15.529 -8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.207 16.640 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.321 17.234 -6.586 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.123 16.186 -5.624 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.971 16.466 -4.776 1.00 0.00 C ATOM 1132 C VAL A 75 -5.883 15.413 -4.960 1.00 0.00 C ATOM 1133 O VAL A 75 -4.693 15.716 -4.886 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.369 16.521 -3.289 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.133 16.621 -2.408 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.311 17.687 -3.033 1.00 0.00 C ATOM 0 H VAL A 75 -9.013 16.147 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.585 17.440 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.892 15.598 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.434 16.659 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.498 15.750 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.579 17.526 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.582 17.711 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.816 18.620 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.211 17.567 -3.636 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.301 14.175 -5.202 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.363 13.077 -5.400 1.00 0.00 C ATOM 1148 C ALA A 76 -4.720 13.147 -6.781 1.00 0.00 C ATOM 1149 O ALA A 76 -3.544 12.824 -6.944 1.00 0.00 O ATOM 1150 CB ALA A 76 -6.067 11.741 -5.211 1.00 0.00 C ATOM 0 H ALA A 76 -7.283 13.907 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.573 13.168 -4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.355 10.930 -5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.474 11.684 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.877 11.651 -5.934 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.499 13.570 -7.771 1.00 0.00 N ATOM 1157 CA GLU A 77 -5.004 13.681 -9.138 1.00 0.00 C ATOM 1158 C GLU A 77 -4.203 14.966 -9.325 1.00 0.00 C ATOM 1159 O GLU A 77 -3.509 15.138 -10.327 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.168 13.644 -10.131 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.734 13.435 -11.571 1.00 0.00 C ATOM 1162 CD GLU A 77 -6.734 13.988 -12.568 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -6.884 15.226 -12.632 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -7.366 13.183 -13.284 1.00 0.00 O ATOM 0 H GLU A 77 -6.475 13.841 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.346 12.833 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.851 12.844 -9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.724 14.579 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.767 13.913 -11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.596 12.369 -11.754 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.306 15.867 -8.353 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.594 17.138 -8.410 1.00 0.00 C ATOM 1173 C ARG A 78 -2.344 17.100 -7.535 1.00 0.00 C ATOM 1174 O ARG A 78 -1.259 17.484 -7.969 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.508 18.280 -7.963 1.00 0.00 C ATOM 1176 CG ARG A 78 -5.294 18.911 -9.101 1.00 0.00 C ATOM 1177 CD ARG A 78 -4.399 19.750 -9.999 1.00 0.00 C ATOM 1178 NE ARG A 78 -3.769 18.950 -11.046 1.00 0.00 N ATOM 1179 CZ ARG A 78 -2.763 19.383 -11.797 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -2.274 20.602 -11.617 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -2.243 18.595 -12.730 1.00 0.00 N ATOM 0 H ARG A 78 -4.876 15.740 -7.517 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.289 17.309 -9.442 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.206 17.904 -7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.905 19.048 -7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.773 18.129 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.089 19.535 -8.693 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.988 20.546 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.628 20.230 -9.396 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.121 18.007 -11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.670 21.210 -10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.501 20.932 -12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.616 17.656 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.470 18.928 -13.306 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.507 16.635 -6.300 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.392 16.549 -5.364 1.00 0.00 C ATOM 1197 C GLU A 79 -0.560 15.296 -5.622 1.00 0.00 C ATOM 1198 O GLU A 79 0.651 15.374 -5.835 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.906 16.544 -3.923 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.606 17.832 -3.523 1.00 0.00 C ATOM 1201 CD GLU A 79 -3.370 18.462 -4.672 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -2.723 19.063 -5.555 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -4.614 18.354 -4.687 1.00 0.00 O ATOM 0 H GLU A 79 -3.399 16.313 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.758 17.423 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.596 15.710 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.068 16.371 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.294 17.628 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.868 18.542 -3.150 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.218 14.141 -5.602 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.540 12.871 -5.832 1.00 0.00 C ATOM 1212 C PHE A 80 -0.380 12.603 -7.326 1.00 0.00 C ATOM 1213 O PHE A 80 0.468 11.813 -7.739 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.317 11.728 -5.177 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.823 12.057 -3.802 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -1.012 12.715 -2.891 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -3.109 11.710 -3.420 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -1.475 13.019 -1.624 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -3.577 12.012 -2.156 1.00 0.00 C ATOM 1220 CZ PHE A 80 -2.759 12.668 -1.257 1.00 0.00 C ATOM 0 H PHE A 80 -2.220 14.059 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 80 0.452 12.930 -5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.162 11.463 -5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.674 10.849 -5.118 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.008 12.993 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.753 11.197 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.833 13.530 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.581 11.736 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.123 12.906 -0.268 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.204 13.266 -8.132 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.140 13.085 -9.570 1.00 0.00 C ATOM 1232 C GLY A 81 -1.601 11.707 -10.003 1.00 0.00 C ATOM 1233 O GLY A 81 -1.066 11.137 -10.954 1.00 0.00 O ATOM 0 H GLY A 81 -1.915 13.925 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.758 13.840 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.116 13.245 -9.908 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.594 11.171 -9.303 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.126 9.851 -9.620 1.00 0.00 C ATOM 1239 C ILE A 82 -4.511 9.953 -10.249 1.00 0.00 C ATOM 1240 O ILE A 82 -5.435 10.538 -9.684 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.208 8.961 -8.365 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.830 8.835 -7.712 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.758 7.589 -8.725 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.859 8.130 -6.373 1.00 0.00 C ATOM 0 H ILE A 82 -3.047 11.630 -8.513 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.439 9.397 -10.333 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.886 9.427 -7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.166 8.293 -8.385 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.407 9.831 -7.580 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.810 6.971 -7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.756 7.697 -9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.102 7.114 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.848 8.076 -5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.497 8.684 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.253 7.122 -6.501 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.661 9.368 -11.447 1.00 0.00 N ATOM 1257 CA PRO A 83 -5.931 9.377 -12.179 1.00 0.00 C ATOM 1258 C PRO A 83 -6.990 8.506 -11.511 1.00 0.00 C ATOM 1259 O PRO A 83 -6.778 7.323 -11.244 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.555 8.807 -13.548 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.348 7.972 -13.293 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.602 8.653 -12.179 1.00 0.00 C ATOM 0 HA PRO A 83 -6.370 10.374 -12.224 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.367 8.212 -13.965 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.342 9.602 -14.263 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.628 6.957 -13.012 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.730 7.896 -14.188 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.088 7.934 -11.541 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.845 9.338 -12.562 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.160 9.102 -11.236 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.276 8.398 -10.598 1.00 0.00 C ATOM 1272 C PRO A 84 -9.910 7.360 -11.518 1.00 0.00 C ATOM 1273 O PRO A 84 -10.193 7.640 -12.683 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.273 9.519 -10.290 1.00 0.00 C ATOM 1275 CG PRO A 84 -9.965 10.583 -11.286 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.483 10.509 -11.528 1.00 0.00 C ATOM 0 HA PRO A 84 -8.955 7.840 -9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.302 9.172 -10.387 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.155 9.885 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.520 10.424 -12.211 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.250 11.565 -10.908 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.230 10.775 -12.554 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.935 11.191 -10.877 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.130 6.162 -10.988 1.00 0.00 N ATOM 1285 CA VAL A 85 -10.732 5.082 -11.762 1.00 0.00 C ATOM 1286 C VAL A 85 -12.195 5.378 -12.072 1.00 0.00 C ATOM 1287 O VAL A 85 -12.730 4.925 -13.085 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.638 3.738 -11.016 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.187 3.302 -10.880 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.304 3.838 -9.652 1.00 0.00 C ATOM 0 H VAL A 85 -9.901 5.914 -10.026 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.173 5.011 -12.695 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.166 2.982 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.141 2.350 -10.350 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.747 3.187 -11.871 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.632 4.055 -10.321 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.228 2.879 -9.139 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.807 4.607 -9.060 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.355 4.100 -9.778 1.00 0.00 H new ATOM 1300 N THR A 86 -12.838 6.142 -11.195 1.00 0.00 N ATOM 1301 CA THR A 86 -14.239 6.499 -11.374 1.00 0.00 C ATOM 1302 C THR A 86 -14.479 7.969 -11.049 1.00 0.00 C ATOM 1303 O THR A 86 -13.676 8.603 -10.362 1.00 0.00 O ATOM 1304 CB THR A 86 -15.157 5.633 -10.491 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.524 6.008 -10.689 1.00 0.00 O ATOM 1306 CG2 THR A 86 -14.792 5.783 -9.021 1.00 0.00 C ATOM 0 H THR A 86 -12.410 6.526 -10.353 1.00 0.00 H new ATOM 0 HA THR A 86 -14.479 6.318 -12.422 1.00 0.00 H new ATOM 0 HB THR A 86 -15.022 4.590 -10.778 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.101 5.451 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.454 5.162 -8.417 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.760 5.468 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.901 6.826 -8.724 1.00 0.00 H new ATOM 1314 N THR A 87 -15.589 8.507 -11.545 1.00 0.00 N ATOM 1315 CA THR A 87 -15.934 9.902 -11.307 1.00 0.00 C ATOM 1316 C THR A 87 -16.854 10.043 -10.099 1.00 0.00 C ATOM 1317 O THR A 87 -17.760 9.236 -9.900 1.00 0.00 O ATOM 1318 CB THR A 87 -16.619 10.529 -12.536 1.00 0.00 C ATOM 1319 OG1 THR A 87 -17.823 9.818 -12.841 1.00 0.00 O ATOM 1320 CG2 THR A 87 -15.691 10.508 -13.742 1.00 0.00 C ATOM 0 H THR A 87 -16.264 7.997 -12.114 1.00 0.00 H new ATOM 0 HA THR A 87 -15.000 10.429 -11.112 1.00 0.00 H new ATOM 0 HB THR A 87 -16.860 11.566 -12.301 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.253 10.224 -13.622 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.196 10.956 -14.598 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.788 11.075 -13.516 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.423 9.478 -13.977 1.00 0.00 H new ATOM 1328 N GLY A 88 -16.615 11.076 -9.296 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.431 11.304 -8.118 1.00 0.00 C ATOM 1330 C GLY A 88 -18.882 10.923 -8.336 1.00 0.00 C ATOM 1331 O GLY A 88 -19.465 10.186 -7.541 1.00 0.00 O ATOM 0 H GLY A 88 -15.871 11.759 -9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.029 10.729 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.373 12.356 -7.837 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.469 11.427 -9.416 1.00 0.00 N ATOM 1336 CA LYS A 89 -20.861 11.137 -9.738 1.00 0.00 C ATOM 1337 C LYS A 89 -21.110 9.632 -9.769 1.00 0.00 C ATOM 1338 O LYS A 89 -21.855 9.100 -8.946 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.234 11.754 -11.087 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.579 13.231 -11.006 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.490 13.655 -12.146 1.00 0.00 C ATOM 1342 CE LYS A 89 -23.939 13.285 -11.869 1.00 0.00 C ATOM 1343 NZ LYS A 89 -24.816 13.563 -13.040 1.00 0.00 N ATOM 0 H LYS A 89 -19.001 12.039 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.486 11.575 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.403 11.621 -11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.085 11.213 -11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.066 13.440 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -20.663 13.821 -11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.411 14.732 -12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.163 13.180 -13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.001 12.228 -11.612 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.298 13.845 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -25.795 13.297 -12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.777 14.576 -13.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.489 13.010 -13.858 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.481 8.953 -10.722 1.00 0.00 N ATOM 1358 CA GLU A 90 -20.634 7.509 -10.859 1.00 0.00 C ATOM 1359 C GLU A 90 -20.410 6.809 -9.522 1.00 0.00 C ATOM 1360 O GLU A 90 -21.178 5.930 -9.132 1.00 0.00 O ATOM 1361 CB GLU A 90 -19.656 6.966 -11.902 1.00 0.00 C ATOM 1362 CG GLU A 90 -19.627 5.449 -11.978 1.00 0.00 C ATOM 1363 CD GLU A 90 -20.866 4.874 -12.637 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -20.917 4.847 -13.885 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -21.785 4.451 -11.905 1.00 0.00 O ATOM 0 H GLU A 90 -19.861 9.379 -11.411 1.00 0.00 H new ATOM 0 HA GLU A 90 -21.653 7.307 -11.189 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.923 7.365 -12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.654 7.329 -11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -18.744 5.134 -12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.532 5.040 -10.972 1.00 0.00 H new ATOM 1372 N MET A 91 -19.350 7.205 -8.824 1.00 0.00 N ATOM 1373 CA MET A 91 -19.024 6.617 -7.530 1.00 0.00 C ATOM 1374 C MET A 91 -20.251 6.581 -6.624 1.00 0.00 C ATOM 1375 O MET A 91 -20.517 5.577 -5.964 1.00 0.00 O ATOM 1376 CB MET A 91 -17.901 7.406 -6.855 1.00 0.00 C ATOM 1377 CG MET A 91 -17.303 6.701 -5.648 1.00 0.00 C ATOM 1378 SD MET A 91 -16.197 5.354 -6.108 1.00 0.00 S ATOM 1379 CE MET A 91 -16.684 4.098 -4.928 1.00 0.00 C ATOM 0 H MET A 91 -18.703 7.930 -9.133 1.00 0.00 H new ATOM 0 HA MET A 91 -18.689 5.594 -7.699 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.112 7.594 -7.583 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.286 8.377 -6.544 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.756 7.425 -5.044 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.107 6.309 -5.026 1.00 0.00 H new ATOM 0 HE1 MET A 91 -16.565 3.112 -5.377 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.057 4.171 -4.040 1.00 0.00 H new ATOM 0 HE3 MET A 91 -17.727 4.246 -4.649 1.00 0.00 H new ATOM 1389 N ALA A 92 -20.994 7.682 -6.598 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.194 7.775 -5.775 1.00 0.00 C ATOM 1391 C ALA A 92 -23.375 7.081 -6.445 1.00 0.00 C ATOM 1392 O ALA A 92 -24.195 6.450 -5.779 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.527 9.233 -5.491 1.00 0.00 C ATOM 0 H ALA A 92 -20.786 8.522 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.997 7.268 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.425 9.288 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.696 9.700 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.699 9.757 -6.431 1.00 0.00 H new ATOM 1399 N SER A 93 -23.455 7.203 -7.766 1.00 0.00 N ATOM 1400 CA SER A 93 -24.539 6.591 -8.526 1.00 0.00 C ATOM 1401 C SER A 93 -24.751 5.142 -8.098 1.00 0.00 C ATOM 1402 O SER A 93 -25.791 4.795 -7.539 1.00 0.00 O ATOM 1403 CB SER A 93 -24.238 6.653 -10.024 1.00 0.00 C ATOM 1404 OG SER A 93 -24.599 7.912 -10.566 1.00 0.00 O ATOM 0 H SER A 93 -22.782 7.720 -8.332 1.00 0.00 H new ATOM 0 HA SER A 93 -25.453 7.149 -8.323 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.176 6.472 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 93 -24.782 5.862 -10.540 1.00 0.00 H new ATOM 0 HG SER A 93 -24.395 7.926 -11.524 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.758 4.301 -8.365 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.833 2.890 -8.006 1.00 0.00 C ATOM 1412 C ALA A 94 -23.614 2.691 -6.510 1.00 0.00 C ATOM 1413 O ALA A 94 -22.501 2.851 -6.011 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.815 2.088 -8.802 1.00 0.00 C ATOM 0 H ALA A 94 -22.891 4.572 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.833 2.531 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.882 1.036 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -23.020 2.195 -9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.812 2.457 -8.586 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.683 2.343 -5.801 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.606 2.124 -4.361 1.00 0.00 C ATOM 1422 C GLN A 95 -23.369 1.309 -4.000 1.00 0.00 C ATOM 1423 O GLN A 95 -22.538 1.746 -3.205 1.00 0.00 O ATOM 1424 CB GLN A 95 -25.865 1.411 -3.865 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.151 0.107 -4.591 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.627 -0.242 -4.604 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.485 0.640 -4.556 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -27.930 -1.533 -4.670 1.00 0.00 N ATOM 0 H GLN A 95 -25.612 2.207 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.532 3.096 -3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -25.762 1.209 -2.799 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.720 2.077 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -25.790 0.180 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -25.595 -0.700 -4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -27.186 -2.230 -4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -28.906 -1.828 -4.683 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.255 0.123 -4.589 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.119 -0.753 -4.327 1.00 0.00 C ATOM 1439 C GLU A 96 -21.181 -0.803 -5.530 1.00 0.00 C ATOM 1440 O GLU A 96 -21.498 -1.378 -6.572 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.603 -2.164 -3.986 1.00 0.00 C ATOM 1442 CG GLU A 96 -22.811 -2.392 -2.498 1.00 0.00 C ATOM 1443 CD GLU A 96 -24.191 -1.972 -2.031 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -24.371 -0.780 -1.705 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -25.092 -2.836 -1.991 1.00 0.00 O ATOM 0 H GLU A 96 -23.935 -0.253 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.570 -0.349 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.540 -2.354 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -21.878 -2.888 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.660 -3.448 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.058 -1.836 -1.940 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.000 -0.186 -5.385 1.00 0.00 N ATOM 1453 CA PRO A 97 -18.991 -0.145 -6.448 1.00 0.00 C ATOM 1454 C PRO A 97 -18.359 -1.509 -6.700 1.00 0.00 C ATOM 1455 O PRO A 97 -18.840 -2.528 -6.204 1.00 0.00 O ATOM 1456 CB PRO A 97 -17.948 0.838 -5.910 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.097 0.775 -4.429 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.556 0.520 -4.170 1.00 0.00 C ATOM 0 HA PRO A 97 -19.420 0.150 -7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.942 0.556 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.125 1.847 -6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.481 -0.020 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -17.775 1.707 -3.964 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -19.706 -0.085 -3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.106 1.449 -4.021 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.278 -1.521 -7.472 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.578 -2.761 -7.788 1.00 0.00 C ATOM 1468 C ASP A 98 -15.486 -3.046 -6.761 1.00 0.00 C ATOM 1469 O ASP A 98 -14.398 -2.473 -6.819 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.969 -2.685 -9.189 1.00 0.00 C ATOM 1471 CG ASP A 98 -17.023 -2.698 -10.279 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -17.493 -3.799 -10.636 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -17.376 -1.609 -10.776 1.00 0.00 O ATOM 0 H ASP A 98 -16.867 -0.686 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.302 -3.575 -7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.373 -1.776 -9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.291 -3.526 -9.333 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.785 -3.934 -5.819 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.831 -4.296 -4.778 1.00 0.00 C ATOM 1480 C LYS A 99 -13.405 -4.287 -5.320 1.00 0.00 C ATOM 1481 O LYS A 99 -12.481 -3.813 -4.657 1.00 0.00 O ATOM 1482 CB LYS A 99 -15.163 -5.678 -4.210 1.00 0.00 C ATOM 1483 CG LYS A 99 -14.269 -6.093 -3.054 1.00 0.00 C ATOM 1484 CD LYS A 99 -14.247 -7.602 -2.880 1.00 0.00 C ATOM 1485 CE LYS A 99 -13.450 -8.279 -3.985 1.00 0.00 C ATOM 1486 NZ LYS A 99 -13.333 -9.747 -3.765 1.00 0.00 N ATOM 0 H LYS A 99 -16.681 -4.417 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.903 -3.556 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -16.201 -5.684 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -15.080 -6.418 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.256 -5.731 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -14.621 -5.625 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.813 -7.851 -1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.268 -7.984 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.931 -8.093 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.454 -7.839 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.783 -10.171 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.852 -9.925 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.282 -10.171 -3.742 1.00 0.00 H new ATOM 1500 N LEU A 100 -13.233 -4.813 -6.527 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.919 -4.864 -7.159 1.00 0.00 C ATOM 1502 C LEU A 100 -11.431 -3.463 -7.515 1.00 0.00 C ATOM 1503 O LEU A 100 -10.354 -3.044 -7.092 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.970 -5.733 -8.417 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.671 -7.219 -8.218 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -12.933 -7.969 -7.820 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.070 -7.816 -9.482 1.00 0.00 C ATOM 0 H LEU A 100 -13.987 -5.210 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.218 -5.303 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.961 -5.638 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.259 -5.333 -9.140 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.944 -7.319 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.701 -9.025 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.321 -7.559 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.683 -7.861 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.864 -8.874 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.773 -7.704 -10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.142 -7.298 -9.723 1.00 0.00 H new ATOM 1519 N SER A 101 -12.232 -2.743 -8.294 1.00 0.00 N ATOM 1520 CA SER A 101 -11.881 -1.389 -8.708 1.00 0.00 C ATOM 1521 C SER A 101 -11.448 -0.550 -7.509 1.00 0.00 C ATOM 1522 O SER A 101 -10.528 0.261 -7.606 1.00 0.00 O ATOM 1523 CB SER A 101 -13.067 -0.724 -9.409 1.00 0.00 C ATOM 1524 OG SER A 101 -12.711 0.551 -9.914 1.00 0.00 O ATOM 0 H SER A 101 -13.128 -3.074 -8.651 1.00 0.00 H new ATOM 0 HA SER A 101 -11.046 -1.453 -9.405 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.413 -1.358 -10.225 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.897 -0.623 -8.710 1.00 0.00 H new ATOM 0 HG SER A 101 -13.485 0.955 -10.359 1.00 0.00 H new ATOM 1530 N MET A 102 -12.120 -0.751 -6.380 1.00 0.00 N ATOM 1531 CA MET A 102 -11.804 -0.014 -5.162 1.00 0.00 C ATOM 1532 C MET A 102 -10.449 -0.438 -4.606 1.00 0.00 C ATOM 1533 O MET A 102 -9.595 0.401 -4.319 1.00 0.00 O ATOM 1534 CB MET A 102 -12.893 -0.236 -4.110 1.00 0.00 C ATOM 1535 CG MET A 102 -14.030 0.770 -4.190 1.00 0.00 C ATOM 1536 SD MET A 102 -13.472 2.469 -3.957 1.00 0.00 S ATOM 1537 CE MET A 102 -12.342 2.269 -2.582 1.00 0.00 C ATOM 0 H MET A 102 -12.886 -1.417 -6.283 1.00 0.00 H new ATOM 0 HA MET A 102 -11.759 1.047 -5.410 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.299 -1.241 -4.226 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.444 -0.186 -3.118 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.520 0.682 -5.160 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.776 0.530 -3.433 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.106 3.246 -2.160 1.00 0.00 H new ATOM 0 HE2 MET A 102 -12.806 1.646 -1.818 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.425 1.794 -2.931 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.258 -1.745 -4.456 1.00 0.00 N ATOM 1548 CA VAL A 103 -9.006 -2.280 -3.935 1.00 0.00 C ATOM 1549 C VAL A 103 -7.827 -1.873 -4.812 1.00 0.00 C ATOM 1550 O VAL A 103 -6.847 -1.308 -4.329 1.00 0.00 O ATOM 1551 CB VAL A 103 -9.051 -3.816 -3.834 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.668 -4.372 -3.531 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -10.053 -4.251 -2.775 1.00 0.00 C ATOM 0 H VAL A 103 -10.955 -2.453 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.874 -1.862 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.375 -4.217 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.720 -5.459 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.980 -4.090 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.312 -3.966 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.072 -5.339 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.761 -3.841 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.045 -3.885 -3.040 1.00 0.00 H new ATOM 1563 N MET A 104 -7.931 -2.164 -6.105 1.00 0.00 N ATOM 1564 CA MET A 104 -6.873 -1.828 -7.051 1.00 0.00 C ATOM 1565 C MET A 104 -6.497 -0.353 -6.943 1.00 0.00 C ATOM 1566 O MET A 104 -5.320 0.003 -7.010 1.00 0.00 O ATOM 1567 CB MET A 104 -7.316 -2.150 -8.479 1.00 0.00 C ATOM 1568 CG MET A 104 -8.405 -1.226 -9.001 1.00 0.00 C ATOM 1569 SD MET A 104 -8.789 -1.517 -10.739 1.00 0.00 S ATOM 1570 CE MET A 104 -8.532 0.119 -11.421 1.00 0.00 C ATOM 0 H MET A 104 -8.736 -2.631 -6.521 1.00 0.00 H new ATOM 0 HA MET A 104 -5.996 -2.428 -6.807 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.452 -2.090 -9.141 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.675 -3.178 -8.516 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.308 -1.362 -8.406 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.091 -0.190 -8.871 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.071 0.035 -12.405 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.490 0.630 -11.512 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.878 0.689 -10.762 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.502 0.499 -6.775 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.276 1.935 -6.661 1.00 0.00 C ATOM 1582 C TYR A 105 -6.569 2.272 -5.352 1.00 0.00 C ATOM 1583 O TYR A 105 -5.580 3.006 -5.338 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.604 2.689 -6.746 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.442 4.182 -6.919 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -7.791 4.706 -8.030 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.938 5.070 -5.973 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.639 6.069 -8.193 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.792 6.435 -6.128 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.142 6.930 -7.239 1.00 0.00 C ATOM 1591 OH TYR A 105 -7.994 8.289 -7.396 1.00 0.00 O ATOM 0 H TYR A 105 -8.481 0.220 -6.715 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.637 2.244 -7.488 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.183 2.296 -7.582 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.180 2.497 -5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.397 4.035 -8.779 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.447 4.687 -5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.130 6.459 -9.062 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.185 7.111 -5.383 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.513 8.471 -8.230 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.083 1.731 -4.253 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.502 1.973 -2.937 1.00 0.00 C ATOM 1603 C LEU A 106 -5.016 1.629 -2.927 1.00 0.00 C ATOM 1604 O LEU A 106 -4.201 2.372 -2.379 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.235 1.151 -1.875 1.00 0.00 C ATOM 1606 CG LEU A 106 -8.663 1.591 -1.553 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.408 0.489 -0.816 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -8.653 2.872 -0.731 1.00 0.00 C ATOM 0 H LEU A 106 -7.901 1.122 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.613 3.033 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.262 0.112 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.651 1.180 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.182 1.788 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.423 0.820 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.446 -0.404 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.890 0.260 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.678 3.171 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.116 2.701 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.158 3.662 -1.295 1.00 0.00 H new ATOM 1620 N SER A 107 -4.671 0.500 -3.537 1.00 0.00 N ATOM 1621 CA SER A 107 -3.282 0.057 -3.597 1.00 0.00 C ATOM 1622 C SER A 107 -2.348 1.233 -3.867 1.00 0.00 C ATOM 1623 O SER A 107 -1.359 1.431 -3.161 1.00 0.00 O ATOM 1624 CB SER A 107 -3.110 -1.006 -4.683 1.00 0.00 C ATOM 1625 OG SER A 107 -3.069 -0.416 -5.971 1.00 0.00 O ATOM 0 H SER A 107 -5.333 -0.125 -3.997 1.00 0.00 H new ATOM 0 HA SER A 107 -3.022 -0.376 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.192 -1.566 -4.506 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.933 -1.719 -4.632 1.00 0.00 H new ATOM 0 HG SER A 107 -3.894 -0.630 -6.455 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.669 2.011 -4.894 1.00 0.00 N ATOM 1632 CA LYS A 108 -1.862 3.169 -5.260 1.00 0.00 C ATOM 1633 C LYS A 108 -1.570 4.036 -4.039 1.00 0.00 C ATOM 1634 O LYS A 108 -0.421 4.399 -3.783 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.577 3.999 -6.329 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.839 3.237 -7.616 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.749 4.016 -8.550 1.00 0.00 C ATOM 1638 CE LYS A 108 -4.233 3.154 -9.705 1.00 0.00 C ATOM 1639 NZ LYS A 108 -5.119 2.051 -9.241 1.00 0.00 N ATOM 0 H LYS A 108 -3.484 1.861 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.916 2.808 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.526 4.354 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.977 4.881 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.893 3.031 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.293 2.274 -7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.606 4.394 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.215 4.883 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.771 3.775 -10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.375 2.734 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.901 1.184 -9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.963 1.884 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -6.113 2.314 -9.399 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.616 4.364 -3.288 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.471 5.187 -2.093 1.00 0.00 C ATOM 1655 C PHE A 109 -1.714 4.436 -1.003 1.00 0.00 C ATOM 1656 O PHE A 109 -0.734 4.938 -0.453 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.845 5.616 -1.574 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.518 6.645 -2.436 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -4.290 7.996 -2.230 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.378 6.262 -3.452 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.908 8.946 -3.022 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -5.998 7.208 -4.247 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.763 8.551 -4.031 1.00 0.00 C ATOM 0 H PHE A 109 -3.573 4.073 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.898 6.075 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.487 4.738 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.735 6.014 -0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.622 8.311 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -5.566 5.213 -3.625 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.722 9.996 -2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -6.666 6.896 -5.037 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.247 9.291 -4.650 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.177 3.229 -0.694 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.546 2.409 0.333 1.00 0.00 C ATOM 1675 C TYR A 110 -0.032 2.376 0.151 1.00 0.00 C ATOM 1676 O TYR A 110 0.721 2.686 1.073 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.106 0.986 0.293 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.298 -0.006 1.100 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.565 -0.216 2.447 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.268 -0.731 0.516 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.829 -1.120 3.189 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.472 -1.638 1.249 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.188 -1.829 2.585 1.00 0.00 C ATOM 1684 OH TYR A 110 0.924 -2.731 3.319 1.00 0.00 O ATOM 0 H TYR A 110 -2.987 2.798 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.767 2.854 1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.130 0.997 0.666 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.148 0.650 -0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.362 0.337 2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.042 -0.583 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.049 -1.270 4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.269 -2.195 0.778 1.00 0.00 H new ATOM 0 HH TYR A 110 1.600 -3.146 2.744 1.00 0.00 H new ATOM 1694 N GLU A 111 0.406 1.999 -1.047 1.00 0.00 N ATOM 1695 CA GLU A 111 1.830 1.926 -1.351 1.00 0.00 C ATOM 1696 C GLU A 111 2.468 3.311 -1.303 1.00 0.00 C ATOM 1697 O GLU A 111 3.547 3.491 -0.736 1.00 0.00 O ATOM 1698 CB GLU A 111 2.049 1.298 -2.729 1.00 0.00 C ATOM 1699 CG GLU A 111 2.051 -0.221 -2.712 1.00 0.00 C ATOM 1700 CD GLU A 111 3.424 -0.799 -2.431 1.00 0.00 C ATOM 1701 OE1 GLU A 111 4.190 -1.004 -3.396 1.00 0.00 O ATOM 1702 OE2 GLU A 111 3.732 -1.048 -1.247 1.00 0.00 O ATOM 0 H GLU A 111 -0.205 1.740 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 111 2.305 1.300 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.267 1.644 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.999 1.650 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.351 -0.573 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.694 -0.592 -3.673 1.00 0.00 H new ATOM 1709 N LEU A 112 1.795 4.287 -1.903 1.00 0.00 N ATOM 1710 CA LEU A 112 2.296 5.657 -1.931 1.00 0.00 C ATOM 1711 C LEU A 112 2.825 6.071 -0.562 1.00 0.00 C ATOM 1712 O LEU A 112 3.996 6.424 -0.418 1.00 0.00 O ATOM 1713 CB LEU A 112 1.189 6.616 -2.374 1.00 0.00 C ATOM 1714 CG LEU A 112 1.488 8.107 -2.210 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.639 8.523 -3.112 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.247 8.935 -2.508 1.00 0.00 C ATOM 0 H LEU A 112 0.901 4.155 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 112 3.117 5.703 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.968 6.424 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.286 6.383 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 112 1.781 8.288 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.837 9.587 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.531 7.953 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.376 8.328 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.478 9.993 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.077 8.750 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.550 8.656 -1.819 1.00 0.00 H new ATOM 1728 N PHE A 113 1.956 6.023 0.442 1.00 0.00 N ATOM 1729 CA PHE A 113 2.337 6.392 1.801 1.00 0.00 C ATOM 1730 C PHE A 113 3.374 5.421 2.358 1.00 0.00 C ATOM 1731 O PHE A 113 4.407 5.835 2.885 1.00 0.00 O ATOM 1732 CB PHE A 113 1.105 6.417 2.709 1.00 0.00 C ATOM 1733 CG PHE A 113 0.274 7.658 2.558 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.680 7.752 1.558 1.00 0.00 C ATOM 1735 CD2 PHE A 113 0.447 8.732 3.416 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -1.447 8.893 1.417 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -0.317 9.876 3.280 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.265 9.957 2.278 1.00 0.00 C ATOM 0 H PHE A 113 0.984 5.732 0.341 1.00 0.00 H new ATOM 0 HA PHE A 113 2.778 7.388 1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.486 5.546 2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.427 6.329 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.826 6.924 0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 113 1.187 8.675 4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.188 8.952 0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.173 10.706 3.956 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.862 10.850 2.169 1.00 0.00 H new ATOM 1748 N ARG A 114 3.090 4.128 2.237 1.00 0.00 N ATOM 1749 CA ARG A 114 3.997 3.098 2.730 1.00 0.00 C ATOM 1750 C ARG A 114 5.444 3.435 2.381 1.00 0.00 C ATOM 1751 O ARG A 114 6.326 3.391 3.237 1.00 0.00 O ATOM 1752 CB ARG A 114 3.623 1.736 2.142 1.00 0.00 C ATOM 1753 CG ARG A 114 3.958 0.567 3.053 1.00 0.00 C ATOM 1754 CD ARG A 114 3.144 -0.667 2.697 1.00 0.00 C ATOM 1755 NE ARG A 114 3.764 -1.441 1.625 1.00 0.00 N ATOM 1756 CZ ARG A 114 4.768 -2.290 1.816 1.00 0.00 C ATOM 1757 NH1 ARG A 114 5.263 -2.473 3.032 1.00 0.00 N ATOM 1758 NH2 ARG A 114 5.278 -2.958 0.790 1.00 0.00 N ATOM 0 H ARG A 114 2.240 3.769 1.802 1.00 0.00 H new ATOM 0 HA ARG A 114 3.904 3.056 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.554 1.724 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 114 4.141 1.605 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.021 0.338 2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.765 0.845 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.033 -1.296 3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.142 -0.365 2.393 1.00 0.00 H new ATOM 0 HE ARG A 114 3.406 -1.323 0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.873 -1.961 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.034 -3.125 3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.899 -2.820 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.049 -3.609 0.938 1.00 0.00 H new ATOM 1772 N GLY A 115 5.679 3.771 1.116 1.00 0.00 N ATOM 1773 CA GLY A 115 7.020 4.109 0.676 1.00 0.00 C ATOM 1774 C GLY A 115 7.203 3.929 -0.818 1.00 0.00 C ATOM 1775 O GLY A 115 6.713 2.960 -1.399 1.00 0.00 O ATOM 0 H GLY A 115 4.965 3.815 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 115 7.237 5.143 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.741 3.485 1.205 1.00 0.00 H new ATOM 1779 N THR A 116 7.909 4.866 -1.444 1.00 0.00 N ATOM 1780 CA THR A 116 8.153 4.808 -2.879 1.00 0.00 C ATOM 1781 C THR A 116 9.049 3.628 -3.238 1.00 0.00 C ATOM 1782 O THR A 116 9.967 3.269 -2.501 1.00 0.00 O ATOM 1783 CB THR A 116 8.804 6.107 -3.391 1.00 0.00 C ATOM 1784 OG1 THR A 116 9.978 6.401 -2.627 1.00 0.00 O ATOM 1785 CG2 THR A 116 7.830 7.272 -3.302 1.00 0.00 C ATOM 0 H THR A 116 8.322 5.674 -0.979 1.00 0.00 H new ATOM 0 HA THR A 116 7.183 4.683 -3.359 1.00 0.00 H new ATOM 0 HB THR A 116 9.078 5.962 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.387 7.227 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.312 8.178 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 116 6.950 7.058 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.529 7.416 -2.264 1.00 0.00 H new ATOM 1793 N PRO A 117 8.779 3.010 -4.397 1.00 0.00 N ATOM 1794 CA PRO A 117 9.551 1.862 -4.880 1.00 0.00 C ATOM 1795 C PRO A 117 10.964 2.250 -5.303 1.00 0.00 C ATOM 1796 O PRO A 117 11.336 3.423 -5.260 1.00 0.00 O ATOM 1797 CB PRO A 117 8.746 1.375 -6.088 1.00 0.00 C ATOM 1798 CG PRO A 117 8.005 2.579 -6.558 1.00 0.00 C ATOM 1799 CD PRO A 117 7.700 3.385 -5.326 1.00 0.00 C ATOM 0 HA PRO A 117 9.683 1.106 -4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.399 0.983 -6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.063 0.572 -5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 117 8.604 3.155 -7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 117 7.089 2.296 -7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 117 7.703 4.455 -5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 117 6.718 3.142 -4.920 1.00 0.00 H new ATOM 1807 N LEU A 118 11.748 1.258 -5.711 1.00 0.00 N ATOM 1808 CA LEU A 118 13.121 1.496 -6.143 1.00 0.00 C ATOM 1809 C LEU A 118 13.202 2.717 -7.053 1.00 0.00 C ATOM 1810 O LEU A 118 12.272 3.004 -7.807 1.00 0.00 O ATOM 1811 CB LEU A 118 13.668 0.266 -6.870 1.00 0.00 C ATOM 1812 CG LEU A 118 13.033 -0.050 -8.225 1.00 0.00 C ATOM 1813 CD1 LEU A 118 13.774 0.667 -9.343 1.00 0.00 C ATOM 1814 CD2 LEU A 118 13.018 -1.552 -8.470 1.00 0.00 C ATOM 0 H LEU A 118 11.456 0.281 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 118 13.727 1.686 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.740 0.402 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.542 -0.601 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 118 12.003 0.306 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.308 0.430 -10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.732 1.743 -9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.814 0.342 -9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.563 -1.758 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.039 -1.932 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 118 12.441 -2.043 -7.686 1.00 0.00 H new ATOM 1826 N ARG A 119 14.320 3.431 -6.978 1.00 0.00 N ATOM 1827 CA ARG A 119 14.523 4.621 -7.795 1.00 0.00 C ATOM 1828 C ARG A 119 15.997 4.792 -8.151 1.00 0.00 C ATOM 1829 O ARG A 119 16.879 4.728 -7.294 1.00 0.00 O ATOM 1830 CB ARG A 119 14.017 5.864 -7.060 1.00 0.00 C ATOM 1831 CG ARG A 119 13.655 7.014 -7.985 1.00 0.00 C ATOM 1832 CD ARG A 119 13.571 8.331 -7.230 1.00 0.00 C ATOM 1833 NE ARG A 119 14.877 8.973 -7.104 1.00 0.00 N ATOM 1834 CZ ARG A 119 15.119 9.992 -6.286 1.00 0.00 C ATOM 1835 NH1 ARG A 119 14.150 10.481 -5.526 1.00 0.00 N ATOM 1836 NH2 ARG A 119 16.334 10.523 -6.227 1.00 0.00 N ATOM 0 H ARG A 119 15.099 3.206 -6.360 1.00 0.00 H new ATOM 0 HA ARG A 119 13.956 4.498 -8.718 1.00 0.00 H new ATOM 0 HB2 ARG A 119 13.141 5.595 -6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 119 14.783 6.199 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 119 14.400 7.094 -8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 119 12.699 6.808 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 119 12.885 9.002 -7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 119 13.156 8.154 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 119 15.645 8.620 -7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 119 13.215 10.075 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 119 14.339 11.263 -4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 119 17.083 10.149 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 119 16.519 11.305 -5.599 1.00 0.00 H new ATOM 1850 N PRO A 120 16.272 5.015 -9.444 1.00 0.00 N ATOM 1851 CA PRO A 120 17.638 5.199 -9.943 1.00 0.00 C ATOM 1852 C PRO A 120 18.249 6.519 -9.485 1.00 0.00 C ATOM 1853 O PRO A 120 17.614 7.294 -8.769 1.00 0.00 O ATOM 1854 CB PRO A 120 17.465 5.189 -11.464 1.00 0.00 C ATOM 1855 CG PRO A 120 16.060 5.628 -11.688 1.00 0.00 C ATOM 1856 CD PRO A 120 15.271 5.104 -10.520 1.00 0.00 C ATOM 0 HA PRO A 120 18.314 4.429 -9.573 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.172 5.863 -11.947 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.640 4.195 -11.876 1.00 0.00 H new ATOM 0 HG2 PRO A 120 15.995 6.714 -11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 120 15.673 5.234 -12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 120 14.454 5.774 -10.254 1.00 0.00 H new ATOM 0 HD3 PRO A 120 14.828 4.132 -10.738 1.00 0.00 H new ATOM 1864 N VAL A 121 19.486 6.770 -9.902 1.00 0.00 N ATOM 1865 CA VAL A 121 20.182 7.998 -9.536 1.00 0.00 C ATOM 1866 C VAL A 121 20.479 8.849 -10.765 1.00 0.00 C ATOM 1867 O VAL A 121 21.024 8.360 -11.755 1.00 0.00 O ATOM 1868 CB VAL A 121 21.503 7.697 -8.803 1.00 0.00 C ATOM 1869 CG1 VAL A 121 22.220 8.988 -8.441 1.00 0.00 C ATOM 1870 CG2 VAL A 121 21.243 6.856 -7.561 1.00 0.00 C ATOM 0 H VAL A 121 20.027 6.139 -10.494 1.00 0.00 H new ATOM 0 HA VAL A 121 19.521 8.549 -8.867 1.00 0.00 H new ATOM 0 HB VAL A 121 22.148 7.127 -9.472 1.00 0.00 H new ATOM 0 HG11 VAL A 121 23.151 8.755 -7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 121 22.440 9.549 -9.349 1.00 0.00 H new ATOM 0 HG13 VAL A 121 21.584 9.587 -7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 121 22.187 6.653 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 121 20.580 7.398 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 121 20.776 5.914 -7.850 1.00 0.00 H new TER 1880 VAL A 121