USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1035 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 49 LYS NZ :NH3+ 133:sc= 1.32 (180deg=-0.0826) USER MOD Set 1.2: A 102 CYS SG : rot -122:sc= 1.06 USER MOD Set 2.1: A 1 MET CE :methyl -160:sc= -0.127 (180deg=-0.435) USER MOD Set 2.2: A 3 SER OG : rot 180:sc=-7.83e-05 USER MOD Set 2.3: A 65 ASN : amide:sc= -8.75! C(o=-8.9!,f=-5.3!) USER MOD Set 3.1: A 37 HIS : no HD1:sc= -4.21! C(o=-18!,f=-11!) USER MOD Set 3.2: A 38 CYS SG : rot -85:sc= -13.5! USER MOD Set 4.1: A 23 SER OG : rot 180:sc= 0.16 USER MOD Set 4.2: A 24 SER OG : rot 66:sc= 1.19 USER MOD Set 4.3: A 73 SER OG : rot -94:sc= 1.2 USER MOD Set 5.1: A 1 MET N :NH3+ -151:sc= 1.25 (180deg=-0.00686) USER MOD Set 5.2: A 22 ASN : amide:sc= 0.243 K(o=1.5,f=-9.8!) USER MOD Set 6.1: A 17 ASN : amide:sc= 2.71 K(o=4.3,f=-13!) USER MOD Set 6.2: A 20 LYS NZ :NH3+ 161:sc= 1.56 (180deg=-0.455) USER MOD Set 7.1: A 9 HIS : no HD1:sc= -0.795 K(o=0.49,f=-0.8!) USER MOD Set 7.2: A 11 SER OG : rot 92:sc= 1.28 USER MOD Set 8.1: A 4 SER OG : rot 72:sc= 0.0687 USER MOD Set 8.2: A 5 HIS : no HE2:sc= 0.477 K(o=0.55,f=-1.5!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0333 X(o=-0.033,f=-0.015) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0.671 K(o=0.67,f=-2.8!) USER MOD Single : A 10 HIS : no HE2:sc= 1.04 K(o=1,f=-5.5!) USER MOD Single : A 12 GLN : amide:sc= -0.816 K(o=-0.82,f=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= -0.27 (180deg=-2!) USER MOD Single : A 40 SER OG : rot 80:sc= -1.21 USER MOD Single : A 54 GLN : amide:sc= -15.1! C(o=-15!,f=-6.6!) USER MOD Single : A 64 MET CE :methyl 179:sc= -8.82! (180deg=-8.84!) USER MOD Single : A 67 SER OG : rot -40:sc= 0.433 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -0.0832 (180deg=-1.59) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -5.04! C(o=-5!,f=-3.6!) USER MOD Single : A 78 TYR OH : rot -66:sc= 0.982 USER MOD Single : A 79 THR OG1 : rot 90:sc= -0.55 USER MOD Single : A 80 SER OG : rot 63:sc= 1.23 USER MOD Single : A 81 SER OG : rot -150:sc= -0.886 USER MOD Single : A 84 TYR OH : rot 118:sc= -0.14 USER MOD Single : A 86 TYR OH : rot -40:sc= 1.73 USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= 2.29 (180deg=-0.25) USER MOD Single : A 93 THR OG1 : rot -145:sc= 1.64 USER MOD Single : A 100 ASN : amide:sc= -0.0442 K(o=-0.044,f=-0.71) USER MOD Single : A 108 GLN : amide:sc= -0.885! C(o=-0.88!,f=-3.6!) USER MOD Single : A 109 HIS : no HE2:sc= -0.249 K(o=-0.25,f=-1.5) USER MOD Single : A 112 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-2.4!) USER MOD Single : A 115 LYS NZ :NH3+ -142:sc= -0.0448 (180deg=-3.88!) USER MOD Single : A 116 GLN : amide:sc= -4.05! K(o=-4!,f=-0.85) USER MOD Single : A 121 LYS NZ :NH3+ -157:sc= 0.195 (180deg=-0.00259) USER MOD Single : A 125 GLN : amide:sc= -2.93! C(o=-2.9!,f=-2.7!) USER MOD Single : A 127 GLN : amide:sc= -0.991 K(o=-0.99,f=-0.11) USER MOD Single : A 131 GLN : amide:sc= 0.63 K(o=0.63,f=-0.16) USER MOD Single : A 132 GLN : amide:sc= -0.637 K(o=-0.64,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.267 -12.740 -3.756 1.00 0.00 N ATOM 2 CA MET A 1 19.027 -11.983 -2.758 1.00 0.00 C ATOM 3 C MET A 1 20.179 -11.320 -3.449 1.00 0.00 C ATOM 4 O MET A 1 20.808 -11.938 -4.291 1.00 0.00 O ATOM 5 CB MET A 1 19.565 -12.909 -1.648 1.00 0.00 C ATOM 6 CG MET A 1 18.494 -13.578 -0.794 1.00 0.00 C ATOM 7 SD MET A 1 17.468 -12.397 0.105 1.00 0.00 S ATOM 8 CE MET A 1 18.688 -11.605 1.169 1.00 0.00 C ATOM 0 H1 MET A 1 17.269 -12.791 -3.467 1.00 0.00 H new ATOM 0 H2 MET A 1 18.337 -12.265 -4.679 1.00 0.00 H new ATOM 0 H3 MET A 1 18.655 -13.702 -3.831 1.00 0.00 H new ATOM 0 HA MET A 1 18.372 -11.245 -2.295 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.179 -13.684 -2.107 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.219 -12.329 -0.996 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.858 -14.190 -1.433 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.973 -14.251 -0.082 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.183 -11.127 2.008 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.385 -12.354 1.544 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.235 -10.854 0.599 1.00 0.00 H new ATOM 20 N GLY A 2 20.412 -10.072 -3.139 1.00 0.00 N ATOM 21 CA GLY A 2 21.530 -9.339 -3.701 1.00 0.00 C ATOM 22 C GLY A 2 21.805 -8.150 -2.838 1.00 0.00 C ATOM 23 O GLY A 2 22.046 -7.046 -3.315 1.00 0.00 O ATOM 0 H GLY A 2 19.838 -9.531 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 2 22.411 -9.978 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 2 21.301 -9.023 -4.719 1.00 0.00 H new ATOM 27 N SER A 3 21.750 -8.389 -1.549 1.00 0.00 N ATOM 28 CA SER A 3 21.838 -7.353 -0.573 1.00 0.00 C ATOM 29 C SER A 3 23.261 -6.832 -0.397 1.00 0.00 C ATOM 30 O SER A 3 24.045 -7.343 0.412 1.00 0.00 O ATOM 31 CB SER A 3 21.243 -7.852 0.731 1.00 0.00 C ATOM 32 OG SER A 3 19.947 -8.388 0.475 1.00 0.00 O ATOM 0 H SER A 3 21.641 -9.323 -1.154 1.00 0.00 H new ATOM 0 HA SER A 3 21.262 -6.495 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.886 -8.615 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.178 -7.037 1.451 1.00 0.00 H new ATOM 0 HG SER A 3 19.557 -8.714 1.313 1.00 0.00 H new ATOM 38 N SER A 4 23.595 -5.861 -1.211 1.00 0.00 N ATOM 39 CA SER A 4 24.854 -5.175 -1.140 1.00 0.00 C ATOM 40 C SER A 4 24.899 -4.348 0.144 1.00 0.00 C ATOM 41 O SER A 4 25.896 -4.315 0.869 1.00 0.00 O ATOM 42 CB SER A 4 24.981 -4.290 -2.382 1.00 0.00 C ATOM 43 OG SER A 4 23.763 -3.561 -2.600 1.00 0.00 O ATOM 0 H SER A 4 22.985 -5.522 -1.955 1.00 0.00 H new ATOM 0 HA SER A 4 25.689 -5.876 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 4 25.812 -3.595 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.206 -4.905 -3.254 1.00 0.00 H new ATOM 0 HG SER A 4 23.674 -2.861 -1.920 1.00 0.00 H new ATOM 49 N HIS A 5 23.761 -3.777 0.468 1.00 0.00 N ATOM 50 CA HIS A 5 23.591 -2.946 1.642 1.00 0.00 C ATOM 51 C HIS A 5 23.168 -3.835 2.815 1.00 0.00 C ATOM 52 O HIS A 5 22.251 -3.504 3.575 1.00 0.00 O ATOM 53 CB HIS A 5 22.518 -1.866 1.366 1.00 0.00 C ATOM 54 CG HIS A 5 22.833 -0.956 0.204 1.00 0.00 C ATOM 55 ND1 HIS A 5 22.225 -1.058 -1.040 1.00 0.00 N ATOM 56 CD2 HIS A 5 23.694 0.085 0.107 1.00 0.00 C ATOM 57 CE1 HIS A 5 22.700 -0.127 -1.837 1.00 0.00 C ATOM 58 NE2 HIS A 5 23.592 0.581 -1.170 1.00 0.00 N ATOM 0 H HIS A 5 22.911 -3.878 -0.086 1.00 0.00 H new ATOM 0 HA HIS A 5 24.527 -2.445 1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 5 21.564 -2.359 1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 5 22.392 -1.259 2.263 1.00 0.00 H new ATOM 0 HD1 HIS A 5 21.519 -1.748 -1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 5 24.341 0.456 0.888 1.00 0.00 H new ATOM 0 HE1 HIS A 5 22.409 0.032 -2.865 1.00 0.00 H new ATOM 67 N HIS A 6 23.888 -4.951 2.973 1.00 0.00 N ATOM 68 CA HIS A 6 23.594 -5.969 3.994 1.00 0.00 C ATOM 69 C HIS A 6 23.892 -5.519 5.437 1.00 0.00 C ATOM 70 O HIS A 6 24.903 -5.882 6.046 1.00 0.00 O ATOM 71 CB HIS A 6 24.194 -7.373 3.668 1.00 0.00 C ATOM 72 CG HIS A 6 25.697 -7.435 3.481 1.00 0.00 C ATOM 73 ND1 HIS A 6 26.563 -7.900 4.452 1.00 0.00 N ATOM 74 CD2 HIS A 6 26.476 -7.123 2.413 1.00 0.00 C ATOM 75 CE1 HIS A 6 27.801 -7.872 3.991 1.00 0.00 C ATOM 76 NE2 HIS A 6 27.775 -7.404 2.759 1.00 0.00 N ATOM 0 H HIS A 6 24.697 -5.177 2.394 1.00 0.00 H new ATOM 0 HA HIS A 6 22.511 -6.087 3.947 1.00 0.00 H new ATOM 0 HB2 HIS A 6 23.921 -8.057 4.472 1.00 0.00 H new ATOM 0 HB3 HIS A 6 23.721 -7.745 2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 6 26.137 -6.727 1.467 1.00 0.00 H new ATOM 0 HE1 HIS A 6 28.684 -8.180 4.532 1.00 0.00 H new ATOM 0 HE2 HIS A 6 28.589 -7.272 2.159 1.00 0.00 H new ATOM 85 N HIS A 7 23.044 -4.641 5.888 1.00 0.00 N ATOM 86 CA HIS A 7 22.950 -4.094 7.244 1.00 0.00 C ATOM 87 C HIS A 7 21.524 -3.603 7.347 1.00 0.00 C ATOM 88 O HIS A 7 21.229 -2.568 7.952 1.00 0.00 O ATOM 89 CB HIS A 7 23.901 -2.875 7.466 1.00 0.00 C ATOM 90 CG HIS A 7 25.376 -3.172 7.560 1.00 0.00 C ATOM 91 ND1 HIS A 7 25.996 -3.556 8.736 1.00 0.00 N ATOM 92 CD2 HIS A 7 26.363 -3.097 6.630 1.00 0.00 C ATOM 93 CE1 HIS A 7 27.290 -3.700 8.525 1.00 0.00 C ATOM 94 NE2 HIS A 7 27.543 -3.428 7.258 1.00 0.00 N ATOM 0 H HIS A 7 22.331 -4.244 5.276 1.00 0.00 H new ATOM 0 HA HIS A 7 23.228 -4.848 7.981 1.00 0.00 H new ATOM 0 HB2 HIS A 7 23.748 -2.171 6.648 1.00 0.00 H new ATOM 0 HB3 HIS A 7 23.597 -2.370 8.383 1.00 0.00 H new ATOM 0 HD2 HIS A 7 26.244 -2.828 5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 7 28.021 -3.992 9.265 1.00 0.00 H new ATOM 0 HE2 HIS A 7 28.462 -3.458 6.817 1.00 0.00 H new ATOM 103 N HIS A 8 20.626 -4.371 6.755 1.00 0.00 N ATOM 104 CA HIS A 8 19.269 -3.927 6.577 1.00 0.00 C ATOM 105 C HIS A 8 18.398 -4.056 7.802 1.00 0.00 C ATOM 106 O HIS A 8 17.733 -5.063 8.002 1.00 0.00 O ATOM 107 CB HIS A 8 18.569 -4.593 5.378 1.00 0.00 C ATOM 108 CG HIS A 8 17.235 -3.951 5.046 1.00 0.00 C ATOM 109 ND1 HIS A 8 16.002 -4.404 5.505 1.00 0.00 N ATOM 110 CD2 HIS A 8 16.969 -2.868 4.302 1.00 0.00 C ATOM 111 CE1 HIS A 8 15.052 -3.611 5.044 1.00 0.00 C ATOM 112 NE2 HIS A 8 15.624 -2.670 4.311 1.00 0.00 N ATOM 0 H HIS A 8 20.819 -5.304 6.392 1.00 0.00 H new ATOM 0 HA HIS A 8 19.383 -2.862 6.375 1.00 0.00 H new ATOM 0 HB2 HIS A 8 19.221 -4.538 4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 8 18.415 -5.650 5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 8 17.696 -2.259 3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 8 13.993 -3.713 5.232 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.134 -1.916 3.829 1.00 0.00 H new ATOM 121 N HIS A 9 18.444 -3.069 8.627 1.00 0.00 N ATOM 122 CA HIS A 9 17.429 -2.907 9.615 1.00 0.00 C ATOM 123 C HIS A 9 17.186 -1.435 9.748 1.00 0.00 C ATOM 124 O HIS A 9 17.425 -0.831 10.763 1.00 0.00 O ATOM 125 CB HIS A 9 17.707 -3.587 10.973 1.00 0.00 C ATOM 126 CG HIS A 9 16.417 -3.963 11.696 1.00 0.00 C ATOM 127 ND1 HIS A 9 16.009 -5.271 11.860 1.00 0.00 N ATOM 128 CD2 HIS A 9 15.428 -3.204 12.242 1.00 0.00 C ATOM 129 CE1 HIS A 9 14.835 -5.295 12.464 1.00 0.00 C ATOM 130 NE2 HIS A 9 14.457 -4.063 12.703 1.00 0.00 N ATOM 0 H HIS A 9 19.175 -2.358 8.639 1.00 0.00 H new ATOM 0 HA HIS A 9 16.535 -3.432 9.278 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.308 -4.482 10.814 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.293 -2.917 11.601 1.00 0.00 H new ATOM 0 HD2 HIS A 9 15.409 -2.126 12.302 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.278 -6.184 12.719 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.586 -3.786 13.156 1.00 0.00 H new ATOM 139 N HIS A 10 16.781 -0.861 8.631 1.00 0.00 N ATOM 140 CA HIS A 10 16.422 0.560 8.526 1.00 0.00 C ATOM 141 C HIS A 10 14.923 0.591 8.628 1.00 0.00 C ATOM 142 O HIS A 10 14.244 1.389 7.989 1.00 0.00 O ATOM 143 CB HIS A 10 16.820 1.130 7.136 1.00 0.00 C ATOM 144 CG HIS A 10 18.274 1.052 6.772 1.00 0.00 C ATOM 145 ND1 HIS A 10 18.714 0.761 5.490 1.00 0.00 N ATOM 146 CD2 HIS A 10 19.391 1.274 7.507 1.00 0.00 C ATOM 147 CE1 HIS A 10 20.025 0.805 5.458 1.00 0.00 C ATOM 148 NE2 HIS A 10 20.467 1.114 6.666 1.00 0.00 N ATOM 0 H HIS A 10 16.687 -1.368 7.751 1.00 0.00 H new ATOM 0 HA HIS A 10 16.927 1.148 9.292 1.00 0.00 H new ATOM 0 HB2 HIS A 10 16.249 0.600 6.374 1.00 0.00 H new ATOM 0 HB3 HIS A 10 16.514 2.175 7.095 1.00 0.00 H new ATOM 0 HD1 HIS A 10 18.112 0.546 4.695 1.00 0.00 H new ATOM 0 HD2 HIS A 10 19.429 1.529 8.556 1.00 0.00 H new ATOM 0 HE1 HIS A 10 20.641 0.620 4.590 1.00 0.00 H new ATOM 157 N SER A 11 14.439 -0.278 9.437 1.00 0.00 N ATOM 158 CA SER A 11 13.080 -0.575 9.531 1.00 0.00 C ATOM 159 C SER A 11 12.630 -0.496 10.949 1.00 0.00 C ATOM 160 O SER A 11 13.451 -0.422 11.877 1.00 0.00 O ATOM 161 CB SER A 11 12.887 -1.947 8.940 1.00 0.00 C ATOM 162 OG SER A 11 13.744 -2.894 9.569 1.00 0.00 O ATOM 0 H SER A 11 15.018 -0.821 10.077 1.00 0.00 H new ATOM 0 HA SER A 11 12.472 0.144 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.848 -2.256 9.058 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.092 -1.919 7.870 1.00 0.00 H new ATOM 0 HG SER A 11 13.274 -3.311 10.321 1.00 0.00 H new ATOM 168 N GLN A 12 11.342 -0.532 11.104 1.00 0.00 N ATOM 169 CA GLN A 12 10.689 -0.267 12.345 1.00 0.00 C ATOM 170 C GLN A 12 9.556 -1.246 12.439 1.00 0.00 C ATOM 171 O GLN A 12 8.448 -0.928 12.887 1.00 0.00 O ATOM 172 CB GLN A 12 10.130 1.134 12.276 1.00 0.00 C ATOM 173 CG GLN A 12 11.096 2.179 11.711 1.00 0.00 C ATOM 174 CD GLN A 12 10.467 3.553 11.567 1.00 0.00 C ATOM 175 OE1 GLN A 12 10.814 4.321 10.687 1.00 0.00 O ATOM 176 NE2 GLN A 12 9.539 3.878 12.438 1.00 0.00 N ATOM 0 H GLN A 12 10.698 -0.754 10.345 1.00 0.00 H new ATOM 0 HA GLN A 12 11.359 -0.357 13.200 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.229 1.122 11.662 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.829 1.441 13.278 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.967 2.251 12.363 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.454 1.846 10.737 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.267 3.216 13.165 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.090 4.792 12.388 1.00 0.00 H new ATOM 185 N ASP A 13 9.875 -2.415 12.015 1.00 0.00 N ATOM 186 CA ASP A 13 9.047 -3.504 11.879 1.00 0.00 C ATOM 187 C ASP A 13 8.423 -3.945 13.199 1.00 0.00 C ATOM 188 O ASP A 13 9.120 -4.105 14.199 1.00 0.00 O ATOM 189 CB ASP A 13 9.828 -4.587 11.158 1.00 0.00 C ATOM 190 CG ASP A 13 11.313 -4.768 11.560 1.00 0.00 C ATOM 191 OD1 ASP A 13 11.730 -5.889 11.887 1.00 0.00 O ATOM 192 OD2 ASP A 13 12.107 -3.767 11.501 1.00 0.00 O ATOM 0 H ASP A 13 10.831 -2.629 11.731 1.00 0.00 H new ATOM 0 HA ASP A 13 8.176 -3.245 11.277 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.316 -5.536 11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.789 -4.378 10.089 1.00 0.00 H new ATOM 197 N PRO A 14 7.074 -4.101 13.222 1.00 0.00 N ATOM 198 CA PRO A 14 6.320 -4.312 14.437 1.00 0.00 C ATOM 199 C PRO A 14 5.990 -5.782 14.799 1.00 0.00 C ATOM 200 O PRO A 14 6.674 -6.379 15.627 1.00 0.00 O ATOM 201 CB PRO A 14 5.031 -3.497 14.160 1.00 0.00 C ATOM 202 CG PRO A 14 5.066 -3.186 12.670 1.00 0.00 C ATOM 203 CD PRO A 14 6.157 -4.050 12.093 1.00 0.00 C ATOM 0 HA PRO A 14 6.900 -4.005 15.308 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.140 -4.068 14.422 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.009 -2.582 14.752 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.106 -3.405 12.203 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.271 -2.130 12.496 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.796 -5.038 11.806 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.613 -3.607 11.207 1.00 0.00 H new ATOM 211 N MET A 15 4.939 -6.358 14.189 1.00 0.00 N ATOM 212 CA MET A 15 4.488 -7.669 14.561 1.00 0.00 C ATOM 213 C MET A 15 5.393 -8.785 14.092 1.00 0.00 C ATOM 214 O MET A 15 5.641 -9.740 14.836 1.00 0.00 O ATOM 215 CB MET A 15 3.040 -7.945 14.125 1.00 0.00 C ATOM 216 CG MET A 15 2.019 -7.085 14.736 1.00 0.00 C ATOM 217 SD MET A 15 1.870 -7.263 16.530 1.00 0.00 S ATOM 218 CE MET A 15 0.580 -6.068 16.862 1.00 0.00 C ATOM 0 H MET A 15 4.401 -5.921 13.441 1.00 0.00 H new ATOM 0 HA MET A 15 4.525 -7.663 15.650 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.979 -7.838 13.042 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.801 -8.983 14.357 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.251 -6.045 14.504 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.054 -7.306 14.280 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.365 -6.052 17.931 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.909 -5.079 16.543 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.321 -6.344 16.315 1.00 0.00 H new ATOM 228 N GLU A 16 5.897 -8.681 12.880 1.00 0.00 N ATOM 229 CA GLU A 16 6.687 -9.742 12.322 1.00 0.00 C ATOM 230 C GLU A 16 7.578 -9.191 11.223 1.00 0.00 C ATOM 231 O GLU A 16 7.553 -7.979 10.960 1.00 0.00 O ATOM 232 CB GLU A 16 5.747 -10.889 11.827 1.00 0.00 C ATOM 233 CG GLU A 16 4.874 -10.598 10.588 1.00 0.00 C ATOM 234 CD GLU A 16 5.649 -10.795 9.308 1.00 0.00 C ATOM 235 OE1 GLU A 16 6.361 -11.809 9.231 1.00 0.00 O ATOM 236 OE2 GLU A 16 5.581 -9.944 8.383 1.00 0.00 O ATOM 0 H GLU A 16 5.771 -7.873 12.270 1.00 0.00 H new ATOM 0 HA GLU A 16 7.343 -10.170 13.080 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.364 -11.761 11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.086 -11.163 12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.004 -11.254 10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.502 -9.575 10.636 1.00 0.00 H new ATOM 243 N ASN A 17 8.342 -10.064 10.587 1.00 0.00 N ATOM 244 CA ASN A 17 9.233 -9.686 9.512 1.00 0.00 C ATOM 245 C ASN A 17 9.690 -10.940 8.783 1.00 0.00 C ATOM 246 O ASN A 17 10.642 -11.629 9.193 1.00 0.00 O ATOM 247 CB ASN A 17 10.434 -8.965 10.040 1.00 0.00 C ATOM 248 CG ASN A 17 11.304 -8.281 8.994 1.00 0.00 C ATOM 249 OD1 ASN A 17 11.427 -8.730 7.856 1.00 0.00 O ATOM 250 ND2 ASN A 17 11.919 -7.184 9.373 1.00 0.00 N ATOM 0 H ASN A 17 8.359 -11.060 10.806 1.00 0.00 H new ATOM 0 HA ASN A 17 8.698 -9.021 8.834 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.099 -8.214 10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.050 -9.677 10.590 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.517 -6.682 8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.799 -6.834 10.324 1.00 0.00 H new ATOM 257 N GLN A 18 8.916 -11.280 7.827 1.00 0.00 N ATOM 258 CA GLN A 18 9.100 -12.304 6.891 1.00 0.00 C ATOM 259 C GLN A 18 10.491 -12.333 6.238 1.00 0.00 C ATOM 260 O GLN A 18 11.177 -11.294 6.111 1.00 0.00 O ATOM 261 CB GLN A 18 8.042 -12.065 5.857 1.00 0.00 C ATOM 262 CG GLN A 18 6.672 -12.358 6.372 1.00 0.00 C ATOM 263 CD GLN A 18 5.553 -11.936 5.457 1.00 0.00 C ATOM 264 OE1 GLN A 18 5.155 -12.660 4.537 1.00 0.00 O ATOM 265 NE2 GLN A 18 4.955 -10.822 5.780 1.00 0.00 N ATOM 0 H GLN A 18 8.038 -10.786 7.669 1.00 0.00 H new ATOM 0 HA GLN A 18 9.025 -13.272 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.089 -11.028 5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.241 -12.688 4.985 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.589 -13.429 6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.545 -11.859 7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.316 -10.253 6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.127 -10.520 5.266 1.00 0.00 H new ATOM 274 N PRO A 19 10.939 -13.549 5.824 1.00 0.00 N ATOM 275 CA PRO A 19 12.189 -13.729 5.103 1.00 0.00 C ATOM 276 C PRO A 19 12.192 -12.893 3.833 1.00 0.00 C ATOM 277 O PRO A 19 11.143 -12.616 3.265 1.00 0.00 O ATOM 278 CB PRO A 19 12.202 -15.222 4.752 1.00 0.00 C ATOM 279 CG PRO A 19 11.310 -15.851 5.755 1.00 0.00 C ATOM 280 CD PRO A 19 10.245 -14.839 6.038 1.00 0.00 C ATOM 0 HA PRO A 19 13.058 -13.422 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.841 -15.394 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.210 -15.633 4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.880 -16.776 5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.858 -16.107 6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.393 -14.954 5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.865 -14.928 7.056 1.00 0.00 H new ATOM 288 N LYS A 20 13.364 -12.447 3.437 1.00 0.00 N ATOM 289 CA LYS A 20 13.537 -11.659 2.347 1.00 0.00 C ATOM 290 C LYS A 20 12.965 -12.162 1.053 1.00 0.00 C ATOM 291 O LYS A 20 12.880 -13.329 0.739 1.00 0.00 O ATOM 292 CB LYS A 20 14.956 -11.286 2.230 1.00 0.00 C ATOM 293 CG LYS A 20 15.518 -10.549 3.456 1.00 0.00 C ATOM 294 CD LYS A 20 14.668 -9.363 3.959 1.00 0.00 C ATOM 295 CE LYS A 20 13.794 -9.744 5.166 1.00 0.00 C ATOM 296 NZ LYS A 20 13.074 -8.595 5.794 1.00 0.00 N ATOM 0 H LYS A 20 14.233 -12.663 3.925 1.00 0.00 H new ATOM 0 HA LYS A 20 12.928 -10.774 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.544 -12.188 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.082 -10.654 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.630 -11.265 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.516 -10.183 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.325 -8.538 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.031 -9.006 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.062 -10.486 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.423 -10.218 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.283 -8.952 6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.730 -8.065 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.707 -7.967 5.051 1.00 0.00 H new ATOM 310 N LEU A 21 12.746 -11.167 0.365 1.00 0.00 N ATOM 311 CA LEU A 21 12.050 -10.905 -0.795 1.00 0.00 C ATOM 312 C LEU A 21 12.195 -11.845 -1.904 1.00 0.00 C ATOM 313 O LEU A 21 11.502 -12.828 -1.992 1.00 0.00 O ATOM 314 CB LEU A 21 12.515 -9.501 -1.201 1.00 0.00 C ATOM 315 CG LEU A 21 12.121 -8.345 -0.295 1.00 0.00 C ATOM 316 CD1 LEU A 21 12.435 -8.482 1.105 1.00 0.00 C ATOM 317 CD2 LEU A 21 12.561 -7.081 -0.718 1.00 0.00 C ATOM 0 H LEU A 21 13.157 -10.290 0.685 1.00 0.00 H new ATOM 0 HA LEU A 21 10.985 -11.001 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.602 -9.515 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.129 -9.294 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 21 11.038 -8.407 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.103 -7.593 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.928 -9.359 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.512 -8.598 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.230 -6.324 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.650 -7.075 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.145 -6.861 -1.701 1.00 0.00 H new ATOM 329 N ASN A 22 13.096 -11.484 -2.785 1.00 0.00 N ATOM 330 CA ASN A 22 13.360 -12.184 -3.994 1.00 0.00 C ATOM 331 C ASN A 22 12.191 -11.987 -4.948 1.00 0.00 C ATOM 332 O ASN A 22 12.062 -12.713 -5.919 1.00 0.00 O ATOM 333 CB ASN A 22 13.694 -13.652 -3.739 1.00 0.00 C ATOM 334 CG ASN A 22 14.699 -13.814 -2.719 1.00 0.00 C ATOM 335 OD1 ASN A 22 15.917 -13.756 -2.971 1.00 0.00 O ATOM 336 ND2 ASN A 22 14.255 -14.050 -1.624 1.00 0.00 N ATOM 0 H ASN A 22 13.683 -10.659 -2.663 1.00 0.00 H new ATOM 0 HA ASN A 22 14.251 -11.772 -4.467 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.789 -14.182 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.042 -14.110 -4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.888 -14.215 -0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.246 -14.084 -1.479 1.00 0.00 H new ATOM 343 N SER A 23 11.360 -10.923 -4.622 1.00 0.00 N ATOM 344 CA SER A 23 10.244 -10.397 -5.481 1.00 0.00 C ATOM 345 C SER A 23 8.806 -10.533 -4.926 1.00 0.00 C ATOM 346 O SER A 23 8.442 -11.480 -4.242 1.00 0.00 O ATOM 347 CB SER A 23 10.341 -10.765 -7.008 1.00 0.00 C ATOM 348 OG SER A 23 9.242 -10.249 -7.766 1.00 0.00 O ATOM 0 H SER A 23 11.456 -10.410 -3.746 1.00 0.00 H new ATOM 0 HA SER A 23 10.444 -9.327 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.274 -10.374 -7.414 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.376 -11.849 -7.116 1.00 0.00 H new ATOM 0 HG SER A 23 9.347 -10.501 -8.707 1.00 0.00 H new ATOM 354 N SER A 24 8.049 -9.482 -5.213 1.00 0.00 N ATOM 355 CA SER A 24 6.645 -9.304 -4.943 1.00 0.00 C ATOM 356 C SER A 24 6.160 -9.426 -3.465 1.00 0.00 C ATOM 357 O SER A 24 6.283 -8.473 -2.706 1.00 0.00 O ATOM 358 CB SER A 24 5.804 -10.054 -5.963 1.00 0.00 C ATOM 359 OG SER A 24 6.221 -9.680 -7.281 1.00 0.00 O ATOM 0 H SER A 24 8.445 -8.667 -5.681 1.00 0.00 H new ATOM 0 HA SER A 24 6.475 -8.236 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.916 -11.129 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.748 -9.822 -5.823 1.00 0.00 H new ATOM 0 HG SER A 24 7.138 -9.989 -7.434 1.00 0.00 H new ATOM 365 N LYS A 25 5.689 -10.583 -3.049 1.00 0.00 N ATOM 366 CA LYS A 25 5.047 -10.772 -1.813 1.00 0.00 C ATOM 367 C LYS A 25 5.882 -10.405 -0.663 1.00 0.00 C ATOM 368 O LYS A 25 5.550 -9.493 0.109 1.00 0.00 O ATOM 369 CB LYS A 25 4.750 -12.198 -1.743 1.00 0.00 C ATOM 370 CG LYS A 25 4.446 -12.643 -0.373 1.00 0.00 C ATOM 371 CD LYS A 25 3.344 -13.554 -0.330 1.00 0.00 C ATOM 372 CE LYS A 25 3.676 -14.785 -1.136 1.00 0.00 C ATOM 373 NZ LYS A 25 4.975 -15.418 -0.725 1.00 0.00 N ATOM 0 H LYS A 25 5.758 -11.437 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 25 4.164 -10.135 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.902 -12.422 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.601 -12.762 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.327 -13.121 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.222 -11.775 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.127 -13.830 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.448 -13.077 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.872 -15.513 -1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.725 -14.520 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.890 -16.453 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.734 -15.097 -1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.202 -15.142 0.252 1.00 0.00 H new ATOM 387 N GLU A 26 6.945 -11.109 -0.539 1.00 0.00 N ATOM 388 CA GLU A 26 7.803 -10.910 0.560 1.00 0.00 C ATOM 389 C GLU A 26 8.568 -9.574 0.507 1.00 0.00 C ATOM 390 O GLU A 26 9.346 -9.250 1.397 1.00 0.00 O ATOM 391 CB GLU A 26 8.674 -12.141 0.966 1.00 0.00 C ATOM 392 CG GLU A 26 8.938 -13.209 -0.110 1.00 0.00 C ATOM 393 CD GLU A 26 7.713 -14.058 -0.432 1.00 0.00 C ATOM 394 OE1 GLU A 26 7.293 -14.893 0.393 1.00 0.00 O ATOM 395 OE2 GLU A 26 7.110 -13.887 -1.517 1.00 0.00 O ATOM 0 H GLU A 26 7.241 -11.834 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 26 7.123 -10.815 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.638 -11.771 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.193 -12.629 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.282 -12.719 -1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.745 -13.861 0.225 1.00 0.00 H new ATOM 402 N VAL A 27 8.314 -8.766 -0.527 1.00 0.00 N ATOM 403 CA VAL A 27 8.842 -7.453 -0.544 1.00 0.00 C ATOM 404 C VAL A 27 7.870 -6.505 0.037 1.00 0.00 C ATOM 405 O VAL A 27 8.285 -5.491 0.508 1.00 0.00 O ATOM 406 CB VAL A 27 9.408 -6.956 -1.875 1.00 0.00 C ATOM 407 CG1 VAL A 27 9.548 -8.030 -2.814 1.00 0.00 C ATOM 408 CG2 VAL A 27 8.636 -5.869 -2.429 1.00 0.00 C ATOM 0 H VAL A 27 7.751 -9.019 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 27 9.733 -7.506 0.082 1.00 0.00 H new ATOM 0 HB VAL A 27 10.402 -6.560 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.953 -7.645 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.225 -8.782 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.573 -8.481 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.079 -5.552 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.612 -6.201 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.633 -5.032 -1.731 1.00 0.00 H new ATOM 418 N ILE A 28 6.544 -6.841 0.044 1.00 0.00 N ATOM 419 CA ILE A 28 5.608 -6.038 0.763 1.00 0.00 C ATOM 420 C ILE A 28 6.026 -6.053 2.133 1.00 0.00 C ATOM 421 O ILE A 28 5.984 -5.099 2.788 1.00 0.00 O ATOM 422 CB ILE A 28 4.208 -6.623 0.717 1.00 0.00 C ATOM 423 CG1 ILE A 28 3.648 -6.510 -0.642 1.00 0.00 C ATOM 424 CG2 ILE A 28 3.233 -6.001 1.790 1.00 0.00 C ATOM 425 CD1 ILE A 28 3.950 -5.182 -1.271 1.00 0.00 C ATOM 0 H ILE A 28 6.145 -7.647 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 28 5.582 -5.041 0.323 1.00 0.00 H new ATOM 0 HB ILE A 28 4.301 -7.677 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.052 -7.306 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.568 -6.654 -0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.250 -6.464 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.630 -6.180 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.144 -4.928 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.517 -5.146 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.523 -4.385 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.030 -5.048 -1.338 1.00 0.00 H new ATOM 437 N ALA A 29 6.372 -7.193 2.530 1.00 0.00 N ATOM 438 CA ALA A 29 6.932 -7.453 3.766 1.00 0.00 C ATOM 439 C ALA A 29 8.127 -6.578 4.094 1.00 0.00 C ATOM 440 O ALA A 29 8.200 -6.052 5.188 1.00 0.00 O ATOM 441 CB ALA A 29 7.223 -8.857 3.848 1.00 0.00 C ATOM 0 H ALA A 29 6.263 -8.030 1.957 1.00 0.00 H new ATOM 0 HA ALA A 29 6.207 -7.190 4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.666 -9.081 4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.301 -9.427 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.922 -9.130 3.058 1.00 0.00 H new ATOM 447 N PHE A 30 9.033 -6.391 3.160 1.00 0.00 N ATOM 448 CA PHE A 30 10.095 -5.484 3.379 1.00 0.00 C ATOM 449 C PHE A 30 9.552 -4.129 3.431 1.00 0.00 C ATOM 450 O PHE A 30 9.882 -3.372 4.281 1.00 0.00 O ATOM 451 CB PHE A 30 11.085 -5.572 2.283 1.00 0.00 C ATOM 452 CG PHE A 30 11.588 -4.273 1.785 1.00 0.00 C ATOM 453 CD1 PHE A 30 11.216 -3.859 0.530 1.00 0.00 C ATOM 454 CD2 PHE A 30 12.452 -3.457 2.548 1.00 0.00 C ATOM 455 CE1 PHE A 30 11.689 -2.724 0.066 1.00 0.00 C ATOM 456 CE2 PHE A 30 12.895 -2.313 2.048 1.00 0.00 C ATOM 457 CZ PHE A 30 12.524 -1.957 0.816 1.00 0.00 C ATOM 0 H PHE A 30 9.041 -6.859 2.254 1.00 0.00 H new ATOM 0 HA PHE A 30 10.590 -5.731 4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.933 -6.164 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.635 -6.113 1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.544 -4.457 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.751 -3.766 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.411 -2.396 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.547 -1.677 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.898 -1.032 0.403 1.00 0.00 H new ATOM 467 N LEU A 31 8.715 -3.837 2.493 1.00 0.00 N ATOM 468 CA LEU A 31 8.102 -2.585 2.384 1.00 0.00 C ATOM 469 C LEU A 31 7.440 -2.246 3.648 1.00 0.00 C ATOM 470 O LEU A 31 7.459 -1.179 4.067 1.00 0.00 O ATOM 471 CB LEU A 31 7.110 -2.662 1.268 1.00 0.00 C ATOM 472 CG LEU A 31 7.714 -2.630 -0.057 1.00 0.00 C ATOM 473 CD1 LEU A 31 6.690 -2.536 -1.110 1.00 0.00 C ATOM 474 CD2 LEU A 31 8.688 -1.519 -0.126 1.00 0.00 C ATOM 0 H LEU A 31 8.439 -4.495 1.764 1.00 0.00 H new ATOM 0 HA LEU A 31 8.837 -1.808 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.531 -3.580 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.410 -1.831 1.358 1.00 0.00 H new ATOM 0 HG LEU A 31 8.247 -3.565 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.173 -2.514 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.028 -3.400 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.109 -1.624 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.141 -1.493 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.177 -0.575 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.464 -1.669 0.624 1.00 0.00 H new ATOM 486 N ALA A 32 6.941 -3.208 4.253 1.00 0.00 N ATOM 487 CA ALA A 32 6.230 -3.075 5.449 1.00 0.00 C ATOM 488 C ALA A 32 7.085 -3.009 6.676 1.00 0.00 C ATOM 489 O ALA A 32 6.698 -2.388 7.659 1.00 0.00 O ATOM 490 CB ALA A 32 5.358 -4.189 5.512 1.00 0.00 C ATOM 0 H ALA A 32 7.011 -4.171 3.924 1.00 0.00 H new ATOM 0 HA ALA A 32 5.702 -2.122 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.772 -4.141 6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.688 -4.175 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.942 -5.109 5.502 1.00 0.00 H new ATOM 496 N GLU A 33 8.242 -3.618 6.632 1.00 0.00 N ATOM 497 CA GLU A 33 9.101 -3.613 7.764 1.00 0.00 C ATOM 498 C GLU A 33 9.731 -2.249 7.847 1.00 0.00 C ATOM 499 O GLU A 33 9.945 -1.647 8.902 1.00 0.00 O ATOM 500 CB GLU A 33 10.110 -4.737 7.609 1.00 0.00 C ATOM 501 CG GLU A 33 11.179 -4.488 6.571 1.00 0.00 C ATOM 502 CD GLU A 33 12.254 -5.569 6.369 1.00 0.00 C ATOM 503 OE1 GLU A 33 12.307 -6.181 5.275 1.00 0.00 O ATOM 504 OE2 GLU A 33 13.102 -5.786 7.262 1.00 0.00 O ATOM 0 H GLU A 33 8.601 -4.120 5.820 1.00 0.00 H new ATOM 0 HA GLU A 33 8.570 -3.793 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.591 -4.910 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.577 -5.652 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.684 -4.326 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.685 -3.558 6.829 1.00 0.00 H new ATOM 511 N ARG A 34 9.901 -1.770 6.687 1.00 0.00 N ATOM 512 CA ARG A 34 10.512 -0.576 6.332 1.00 0.00 C ATOM 513 C ARG A 34 9.533 0.586 6.436 1.00 0.00 C ATOM 514 O ARG A 34 9.885 1.664 6.900 1.00 0.00 O ATOM 515 CB ARG A 34 10.949 -0.822 4.916 1.00 0.00 C ATOM 516 CG ARG A 34 11.820 0.149 4.355 1.00 0.00 C ATOM 517 CD ARG A 34 13.052 0.244 5.144 1.00 0.00 C ATOM 518 NE ARG A 34 14.086 0.855 4.385 1.00 0.00 N ATOM 519 CZ ARG A 34 14.534 2.115 4.509 1.00 0.00 C ATOM 520 NH1 ARG A 34 14.099 2.900 5.511 1.00 0.00 N ATOM 521 NH2 ARG A 34 15.459 2.562 3.662 1.00 0.00 N ATOM 0 H ARG A 34 9.571 -2.275 5.865 1.00 0.00 H new ATOM 0 HA ARG A 34 11.344 -0.302 6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.443 -1.792 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.060 -0.889 4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.059 -0.118 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.323 1.119 4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.867 0.823 6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.365 -0.751 5.461 1.00 0.00 H new ATOM 0 HE ARG A 34 14.534 0.278 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.423 2.540 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.445 3.856 5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.819 1.950 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.808 3.517 3.745 1.00 0.00 H new ATOM 535 N PHE A 35 8.317 0.367 5.986 1.00 0.00 N ATOM 536 CA PHE A 35 7.270 1.331 6.046 1.00 0.00 C ATOM 537 C PHE A 35 6.059 0.831 6.840 1.00 0.00 C ATOM 538 O PHE A 35 5.015 0.555 6.237 1.00 0.00 O ATOM 539 CB PHE A 35 6.853 1.549 4.635 1.00 0.00 C ATOM 540 CG PHE A 35 7.892 2.118 3.775 1.00 0.00 C ATOM 541 CD1 PHE A 35 8.483 3.341 4.022 1.00 0.00 C ATOM 542 CD2 PHE A 35 8.331 1.383 2.732 1.00 0.00 C ATOM 543 CE1 PHE A 35 9.506 3.789 3.201 1.00 0.00 C ATOM 544 CE2 PHE A 35 9.300 1.805 1.932 1.00 0.00 C ATOM 545 CZ PHE A 35 9.914 3.005 2.138 1.00 0.00 C ATOM 0 H PHE A 35 8.034 -0.515 5.559 1.00 0.00 H new ATOM 0 HA PHE A 35 7.624 2.234 6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.532 0.597 4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.987 2.211 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.149 3.946 4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.879 0.421 2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.980 4.741 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.609 1.187 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.705 3.337 1.482 1.00 0.00 H new ATOM 555 N PRO A 36 6.184 0.668 8.191 1.00 0.00 N ATOM 556 CA PRO A 36 5.070 0.334 9.099 1.00 0.00 C ATOM 557 C PRO A 36 3.737 1.095 8.837 1.00 0.00 C ATOM 558 O PRO A 36 2.685 0.676 9.292 1.00 0.00 O ATOM 559 CB PRO A 36 5.614 0.772 10.462 1.00 0.00 C ATOM 560 CG PRO A 36 7.082 0.913 10.334 1.00 0.00 C ATOM 561 CD PRO A 36 7.451 0.603 8.935 1.00 0.00 C ATOM 0 HA PRO A 36 4.803 -0.717 8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.164 1.716 10.768 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.365 0.037 11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.392 1.925 10.594 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.591 0.237 11.021 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.175 1.321 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.907 -0.384 8.855 1.00 0.00 H new ATOM 569 N HIS A 37 3.793 2.212 8.123 1.00 0.00 N ATOM 570 CA HIS A 37 2.591 2.975 7.848 1.00 0.00 C ATOM 571 C HIS A 37 1.985 2.589 6.523 1.00 0.00 C ATOM 572 O HIS A 37 0.843 2.185 6.473 1.00 0.00 O ATOM 573 CB HIS A 37 2.759 4.528 8.019 1.00 0.00 C ATOM 574 CG HIS A 37 4.083 5.113 7.642 1.00 0.00 C ATOM 575 ND1 HIS A 37 4.987 5.618 8.561 1.00 0.00 N ATOM 576 CD2 HIS A 37 4.640 5.286 6.446 1.00 0.00 C ATOM 577 CE1 HIS A 37 6.050 6.073 7.922 1.00 0.00 C ATOM 578 NE2 HIS A 37 5.865 5.882 6.638 1.00 0.00 N ATOM 0 H HIS A 37 4.649 2.603 7.730 1.00 0.00 H new ATOM 0 HA HIS A 37 1.877 2.700 8.624 1.00 0.00 H new ATOM 0 HB2 HIS A 37 1.990 5.020 7.424 1.00 0.00 H new ATOM 0 HB3 HIS A 37 2.563 4.777 9.062 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.208 5.009 5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.919 6.524 8.378 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.523 6.135 5.901 1.00 0.00 H new ATOM 587 N CYS A 38 2.756 2.741 5.466 1.00 0.00 N ATOM 588 CA CYS A 38 2.363 2.382 4.151 1.00 0.00 C ATOM 589 C CYS A 38 1.936 0.949 4.027 1.00 0.00 C ATOM 590 O CYS A 38 0.852 0.624 3.547 1.00 0.00 O ATOM 591 CB CYS A 38 3.543 2.622 3.242 1.00 0.00 C ATOM 592 SG CYS A 38 4.287 4.166 3.619 1.00 0.00 S ATOM 0 H CYS A 38 3.697 3.130 5.517 1.00 0.00 H new ATOM 0 HA CYS A 38 1.498 2.988 3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.272 1.820 3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.219 2.609 2.201 1.00 0.00 H new ATOM 0 HG CYS A 38 3.669 5.113 2.979 1.00 0.00 H new ATOM 598 N PHE A 39 2.797 0.109 4.439 1.00 0.00 N ATOM 599 CA PHE A 39 2.659 -1.226 4.221 1.00 0.00 C ATOM 600 C PHE A 39 2.273 -1.998 5.470 1.00 0.00 C ATOM 601 O PHE A 39 2.155 -1.444 6.560 1.00 0.00 O ATOM 602 CB PHE A 39 3.968 -1.588 3.674 1.00 0.00 C ATOM 603 CG PHE A 39 4.216 -1.085 2.361 1.00 0.00 C ATOM 604 CD1 PHE A 39 3.454 -1.447 1.290 1.00 0.00 C ATOM 605 CD2 PHE A 39 5.220 -0.242 2.193 1.00 0.00 C ATOM 606 CE1 PHE A 39 3.725 -0.933 0.073 1.00 0.00 C ATOM 607 CE2 PHE A 39 5.509 0.255 1.050 1.00 0.00 C ATOM 608 CZ PHE A 39 4.769 -0.069 -0.051 1.00 0.00 C ATOM 0 H PHE A 39 3.639 0.365 4.954 1.00 0.00 H new ATOM 0 HA PHE A 39 1.839 -1.476 3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.744 -1.218 4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.053 -2.675 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.637 -2.142 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.816 0.037 3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.126 -1.201 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.343 0.935 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.011 0.357 -1.013 1.00 0.00 H new ATOM 618 N SER A 40 2.029 -3.268 5.283 1.00 0.00 N ATOM 619 CA SER A 40 1.606 -4.141 6.337 1.00 0.00 C ATOM 620 C SER A 40 2.641 -5.126 6.741 1.00 0.00 C ATOM 621 O SER A 40 3.448 -4.827 7.585 1.00 0.00 O ATOM 622 CB SER A 40 0.404 -4.870 5.908 1.00 0.00 C ATOM 623 OG SER A 40 -0.645 -4.003 5.706 1.00 0.00 O ATOM 0 H SER A 40 2.121 -3.729 4.378 1.00 0.00 H new ATOM 0 HA SER A 40 1.406 -3.510 7.203 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.613 -5.416 4.988 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.132 -5.608 6.662 1.00 0.00 H new ATOM 0 HG SER A 40 -0.550 -3.573 4.831 1.00 0.00 H new ATOM 629 N ALA A 41 2.449 -6.395 6.242 1.00 0.00 N ATOM 630 CA ALA A 41 3.273 -7.604 6.410 1.00 0.00 C ATOM 631 C ALA A 41 2.668 -8.287 7.597 1.00 0.00 C ATOM 632 O ALA A 41 2.512 -9.481 7.693 1.00 0.00 O ATOM 633 CB ALA A 41 4.655 -7.228 6.616 1.00 0.00 C ATOM 0 H ALA A 41 1.634 -6.594 5.662 1.00 0.00 H new ATOM 0 HA ALA A 41 3.282 -8.264 5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.262 -8.125 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.011 -6.665 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.734 -6.610 7.510 1.00 0.00 H new ATOM 639 N GLU A 42 2.173 -7.372 8.380 1.00 0.00 N ATOM 640 CA GLU A 42 1.350 -7.461 9.500 1.00 0.00 C ATOM 641 C GLU A 42 0.106 -8.123 9.169 1.00 0.00 C ATOM 642 O GLU A 42 -0.422 -8.987 9.861 1.00 0.00 O ATOM 643 CB GLU A 42 0.918 -6.069 9.671 1.00 0.00 C ATOM 644 CG GLU A 42 1.883 -5.034 10.135 1.00 0.00 C ATOM 645 CD GLU A 42 2.030 -4.916 11.616 1.00 0.00 C ATOM 646 OE1 GLU A 42 1.232 -4.144 12.207 1.00 0.00 O ATOM 647 OE2 GLU A 42 2.944 -5.521 12.184 1.00 0.00 O ATOM 0 H GLU A 42 2.391 -6.394 8.191 1.00 0.00 H new ATOM 0 HA GLU A 42 1.857 -7.961 10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.522 -5.734 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.086 -6.074 10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.861 -5.254 9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.572 -4.067 9.739 1.00 0.00 H new ATOM 654 N GLY A 43 -0.362 -7.657 8.096 1.00 0.00 N ATOM 655 CA GLY A 43 -1.638 -7.932 7.716 1.00 0.00 C ATOM 656 C GLY A 43 -1.790 -8.174 6.248 1.00 0.00 C ATOM 657 O GLY A 43 -0.823 -8.016 5.487 1.00 0.00 O ATOM 0 H GLY A 43 0.157 -7.060 7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.988 -8.811 8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.281 -7.101 8.007 1.00 0.00 H new ATOM 661 N GLU A 44 -3.029 -8.523 5.880 1.00 0.00 N ATOM 662 CA GLU A 44 -3.513 -8.752 4.531 1.00 0.00 C ATOM 663 C GLU A 44 -2.995 -7.664 3.592 1.00 0.00 C ATOM 664 O GLU A 44 -2.475 -7.952 2.511 1.00 0.00 O ATOM 665 CB GLU A 44 -5.046 -8.701 4.599 1.00 0.00 C ATOM 666 CG GLU A 44 -5.792 -9.407 3.486 1.00 0.00 C ATOM 667 CD GLU A 44 -7.324 -9.297 3.651 1.00 0.00 C ATOM 668 OE1 GLU A 44 -7.932 -10.062 4.440 1.00 0.00 O ATOM 669 OE2 GLU A 44 -7.931 -8.415 3.051 1.00 0.00 O ATOM 0 H GLU A 44 -3.765 -8.660 6.573 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.166 -9.712 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.361 -9.133 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.353 -7.655 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.500 -8.980 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.505 -10.458 3.468 1.00 0.00 H new ATOM 676 N ALA A 45 -3.167 -6.422 4.037 1.00 0.00 N ATOM 677 CA ALA A 45 -2.704 -5.220 3.374 1.00 0.00 C ATOM 678 C ALA A 45 -3.194 -4.029 4.182 1.00 0.00 C ATOM 679 O ALA A 45 -3.688 -4.199 5.307 1.00 0.00 O ATOM 680 CB ALA A 45 -3.258 -5.142 1.967 1.00 0.00 C ATOM 0 H ALA A 45 -3.656 -6.224 4.910 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.616 -5.226 3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.899 -4.233 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.927 -6.010 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.347 -5.127 2.005 1.00 0.00 H new ATOM 686 N ARG A 46 -3.025 -2.866 3.629 1.00 0.00 N ATOM 687 CA ARG A 46 -3.478 -1.599 4.154 1.00 0.00 C ATOM 688 C ARG A 46 -3.681 -0.741 2.938 1.00 0.00 C ATOM 689 O ARG A 46 -3.107 -1.084 1.883 1.00 0.00 O ATOM 690 CB ARG A 46 -2.436 -0.951 5.125 1.00 0.00 C ATOM 691 CG ARG A 46 -2.407 -1.581 6.516 1.00 0.00 C ATOM 692 CD ARG A 46 -1.299 -1.024 7.413 1.00 0.00 C ATOM 693 NE ARG A 46 -1.333 -1.676 8.750 1.00 0.00 N ATOM 694 CZ ARG A 46 -0.254 -2.014 9.504 1.00 0.00 C ATOM 695 NH1 ARG A 46 0.976 -1.723 9.091 1.00 0.00 N ATOM 696 NH2 ARG A 46 -0.432 -2.647 10.682 1.00 0.00 N ATOM 0 H ARG A 46 -2.535 -2.763 2.740 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.385 -1.715 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.444 -1.029 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.658 0.112 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.371 -1.421 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.276 -2.658 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.328 -1.189 6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.420 0.053 7.524 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.252 -1.889 9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.115 -1.242 8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.780 -1.980 9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.374 -2.870 11.004 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.375 -2.902 11.251 1.00 0.00 H new ATOM 710 N PRO A 47 -4.533 0.298 2.995 1.00 0.00 N ATOM 711 CA PRO A 47 -4.720 1.188 1.864 1.00 0.00 C ATOM 712 C PRO A 47 -3.401 1.823 1.458 1.00 0.00 C ATOM 713 O PRO A 47 -2.622 2.266 2.290 1.00 0.00 O ATOM 714 CB PRO A 47 -5.737 2.231 2.354 1.00 0.00 C ATOM 715 CG PRO A 47 -6.403 1.591 3.522 1.00 0.00 C ATOM 716 CD PRO A 47 -5.385 0.671 4.134 1.00 0.00 C ATOM 0 HA PRO A 47 -5.079 0.670 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.244 3.160 2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.457 2.478 1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.732 2.341 4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.289 1.038 3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.813 1.169 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.854 -0.202 4.588 1.00 0.00 H new ATOM 724 N LEU A 48 -3.144 1.811 0.195 1.00 0.00 N ATOM 725 CA LEU A 48 -1.927 2.271 -0.346 1.00 0.00 C ATOM 726 C LEU A 48 -2.223 2.939 -1.692 1.00 0.00 C ATOM 727 O LEU A 48 -3.301 2.782 -2.213 1.00 0.00 O ATOM 728 CB LEU A 48 -1.029 1.032 -0.506 1.00 0.00 C ATOM 729 CG LEU A 48 0.070 1.123 -1.458 1.00 0.00 C ATOM 730 CD1 LEU A 48 1.293 1.587 -0.863 1.00 0.00 C ATOM 731 CD2 LEU A 48 0.287 -0.092 -2.226 1.00 0.00 C ATOM 0 H LEU A 48 -3.801 1.468 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.427 3.005 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.610 0.790 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.660 0.193 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.255 1.882 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.073 1.633 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.138 2.580 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.597 0.900 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.121 0.055 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.515 -0.915 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.612 -0.329 -2.794 1.00 0.00 H new ATOM 743 N LYS A 49 -1.289 3.707 -2.210 1.00 0.00 N ATOM 744 CA LYS A 49 -1.378 4.291 -3.455 1.00 0.00 C ATOM 745 C LYS A 49 -0.555 3.399 -4.334 1.00 0.00 C ATOM 746 O LYS A 49 0.111 2.572 -3.860 1.00 0.00 O ATOM 747 CB LYS A 49 -0.737 5.684 -3.408 1.00 0.00 C ATOM 748 CG LYS A 49 0.698 5.747 -2.951 1.00 0.00 C ATOM 749 CD LYS A 49 1.269 7.184 -2.876 1.00 0.00 C ATOM 750 CE LYS A 49 1.332 7.936 -4.223 1.00 0.00 C ATOM 751 NZ LYS A 49 1.693 9.383 -4.042 1.00 0.00 N ATOM 0 H LYS A 49 -0.421 3.928 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.406 4.402 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.798 6.122 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.334 6.312 -2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.777 5.283 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.312 5.157 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.661 7.764 -2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.274 7.137 -2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.066 7.457 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.367 7.863 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.436 9.643 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.853 9.973 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.041 9.536 -3.074 1.00 0.00 H new ATOM 765 N ILE A 50 -0.613 3.529 -5.554 1.00 0.00 N ATOM 766 CA ILE A 50 0.273 2.758 -6.371 1.00 0.00 C ATOM 767 C ILE A 50 1.510 3.472 -6.837 1.00 0.00 C ATOM 768 O ILE A 50 2.612 2.911 -6.855 1.00 0.00 O ATOM 769 CB ILE A 50 -0.439 1.934 -7.398 1.00 0.00 C ATOM 770 CG1 ILE A 50 -0.662 0.582 -6.709 1.00 0.00 C ATOM 771 CG2 ILE A 50 0.416 1.839 -8.613 1.00 0.00 C ATOM 772 CD1 ILE A 50 -1.470 -0.402 -7.451 1.00 0.00 C ATOM 0 H ILE A 50 -1.249 4.151 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 50 0.705 2.020 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.390 2.349 -7.733 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.312 0.139 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.141 0.763 -5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.092 1.241 -9.369 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.602 2.839 -9.006 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.364 1.368 -8.355 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.558 -1.317 -6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.463 0.008 -7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.987 -0.626 -8.402 1.00 0.00 H new ATOM 784 N GLY A 51 1.355 4.704 -7.113 1.00 0.00 N ATOM 785 CA GLY A 51 2.482 5.525 -7.537 1.00 0.00 C ATOM 786 C GLY A 51 3.542 5.681 -6.461 1.00 0.00 C ATOM 787 O GLY A 51 4.611 6.113 -6.747 1.00 0.00 O ATOM 0 H GLY A 51 0.463 5.197 -7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.935 5.080 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.118 6.511 -7.826 1.00 0.00 H new ATOM 791 N ILE A 52 3.221 5.286 -5.211 1.00 0.00 N ATOM 792 CA ILE A 52 4.154 5.160 -4.140 1.00 0.00 C ATOM 793 C ILE A 52 5.346 4.359 -4.545 1.00 0.00 C ATOM 794 O ILE A 52 6.379 4.574 -4.053 1.00 0.00 O ATOM 795 CB ILE A 52 3.521 4.356 -3.030 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.586 3.960 -2.143 1.00 0.00 C ATOM 797 CG2 ILE A 52 2.896 3.106 -3.573 1.00 0.00 C ATOM 798 CD1 ILE A 52 4.232 2.922 -1.264 1.00 0.00 C ATOM 0 H ILE A 52 2.267 5.045 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 52 4.437 6.170 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 52 2.755 4.951 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.444 3.644 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.903 4.825 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.445 2.541 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.128 3.370 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.660 2.498 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.083 2.678 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.394 3.241 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.944 2.041 -1.838 1.00 0.00 H new ATOM 810 N PHE A 53 5.155 3.383 -5.366 1.00 0.00 N ATOM 811 CA PHE A 53 6.151 2.496 -5.714 1.00 0.00 C ATOM 812 C PHE A 53 7.417 3.242 -6.059 1.00 0.00 C ATOM 813 O PHE A 53 8.396 2.982 -5.608 1.00 0.00 O ATOM 814 CB PHE A 53 5.675 1.788 -6.872 1.00 0.00 C ATOM 815 CG PHE A 53 6.771 1.149 -7.530 1.00 0.00 C ATOM 816 CD1 PHE A 53 7.341 1.596 -8.717 1.00 0.00 C ATOM 817 CD2 PHE A 53 7.277 0.164 -6.922 1.00 0.00 C ATOM 818 CE1 PHE A 53 8.429 0.926 -9.223 1.00 0.00 C ATOM 819 CE2 PHE A 53 8.278 -0.478 -7.382 1.00 0.00 C ATOM 820 CZ PHE A 53 8.878 -0.152 -8.533 1.00 0.00 C ATOM 0 H PHE A 53 4.259 3.195 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 53 6.377 1.817 -4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.933 1.046 -6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.181 2.479 -7.555 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.936 2.454 -9.232 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.847 -0.145 -5.981 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.909 1.246 -10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.657 -1.319 -6.820 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.706 -0.737 -8.906 1.00 0.00 H new ATOM 830 N GLN A 54 7.256 4.204 -6.781 1.00 0.00 N ATOM 831 CA GLN A 54 8.260 5.151 -7.188 1.00 0.00 C ATOM 832 C GLN A 54 9.018 5.846 -5.987 1.00 0.00 C ATOM 833 O GLN A 54 10.031 6.506 -6.116 1.00 0.00 O ATOM 834 CB GLN A 54 7.399 6.059 -7.950 1.00 0.00 C ATOM 835 CG GLN A 54 7.706 7.501 -7.925 1.00 0.00 C ATOM 836 CD GLN A 54 7.312 8.196 -6.734 1.00 0.00 C ATOM 837 OE1 GLN A 54 7.177 9.407 -6.741 1.00 0.00 O ATOM 838 NE2 GLN A 54 6.835 7.434 -5.766 1.00 0.00 N ATOM 0 H GLN A 54 6.341 4.424 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 54 9.104 4.731 -7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.412 5.735 -8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.379 5.930 -7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.780 7.628 -8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.219 7.973 -8.778 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.970 6.424 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.332 7.856 -4.986 1.00 0.00 H new ATOM 847 N ASP A 55 8.433 5.708 -4.933 1.00 0.00 N ATOM 848 CA ASP A 55 8.746 6.448 -3.698 1.00 0.00 C ATOM 849 C ASP A 55 9.426 5.582 -2.882 1.00 0.00 C ATOM 850 O ASP A 55 10.265 5.931 -2.161 1.00 0.00 O ATOM 851 CB ASP A 55 7.469 6.929 -2.988 1.00 0.00 C ATOM 852 CG ASP A 55 7.562 8.014 -1.918 1.00 0.00 C ATOM 853 OD1 ASP A 55 8.084 9.091 -2.178 1.00 0.00 O ATOM 854 OD2 ASP A 55 7.074 7.763 -0.762 1.00 0.00 O ATOM 0 H ASP A 55 7.660 5.052 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 55 9.335 7.334 -3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.784 7.287 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.004 6.057 -2.528 1.00 0.00 H new ATOM 859 N LEU A 56 8.972 4.424 -2.961 1.00 0.00 N ATOM 860 CA LEU A 56 9.564 3.348 -2.422 1.00 0.00 C ATOM 861 C LEU A 56 10.826 3.319 -2.953 1.00 0.00 C ATOM 862 O LEU A 56 11.736 3.502 -2.281 1.00 0.00 O ATOM 863 CB LEU A 56 8.791 2.324 -2.995 1.00 0.00 C ATOM 864 CG LEU A 56 8.208 1.230 -2.365 1.00 0.00 C ATOM 865 CD1 LEU A 56 7.778 1.552 -1.086 1.00 0.00 C ATOM 866 CD2 LEU A 56 7.022 1.112 -2.999 1.00 0.00 C ATOM 0 H LEU A 56 8.103 4.204 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 56 9.628 3.300 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.967 2.836 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.420 1.898 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 56 8.902 0.390 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.327 0.675 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.628 1.882 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.040 2.353 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.468 0.271 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.446 2.028 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.193 0.941 -4.062 1.00 0.00 H new ATOM 878 N VAL A 57 10.842 3.187 -4.203 1.00 0.00 N ATOM 879 CA VAL A 57 12.016 2.911 -4.962 1.00 0.00 C ATOM 880 C VAL A 57 13.116 3.892 -4.769 1.00 0.00 C ATOM 881 O VAL A 57 14.284 3.558 -5.046 1.00 0.00 O ATOM 882 CB VAL A 57 11.704 2.773 -6.366 1.00 0.00 C ATOM 883 CG1 VAL A 57 10.679 1.787 -6.459 1.00 0.00 C ATOM 884 CG2 VAL A 57 11.257 4.046 -6.937 1.00 0.00 C ATOM 0 H VAL A 57 10.002 3.269 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 57 12.391 1.963 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 57 12.587 2.475 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.405 1.644 -7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.042 0.845 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.805 2.117 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.030 3.911 -7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.363 4.385 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.046 4.791 -6.828 1.00 0.00 H new ATOM 894 N ASP A 58 12.725 5.106 -4.350 1.00 0.00 N ATOM 895 CA ASP A 58 13.672 6.125 -3.890 1.00 0.00 C ATOM 896 C ASP A 58 14.644 5.473 -2.899 1.00 0.00 C ATOM 897 O ASP A 58 15.864 5.556 -2.974 1.00 0.00 O ATOM 898 CB ASP A 58 12.905 7.040 -3.032 1.00 0.00 C ATOM 899 CG ASP A 58 13.533 8.378 -2.662 1.00 0.00 C ATOM 900 OD1 ASP A 58 13.814 9.181 -3.556 1.00 0.00 O ATOM 901 OD2 ASP A 58 13.664 8.647 -1.418 1.00 0.00 O ATOM 0 H ASP A 58 11.750 5.404 -4.322 1.00 0.00 H new ATOM 0 HA ASP A 58 14.169 6.589 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.956 7.244 -3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.675 6.513 -2.106 1.00 0.00 H new ATOM 906 N ARG A 59 13.991 4.726 -2.028 1.00 0.00 N ATOM 907 CA ARG A 59 14.471 4.143 -0.875 1.00 0.00 C ATOM 908 C ARG A 59 14.636 2.684 -0.969 1.00 0.00 C ATOM 909 O ARG A 59 15.733 2.163 -0.830 1.00 0.00 O ATOM 910 CB ARG A 59 13.466 4.373 0.208 1.00 0.00 C ATOM 911 CG ARG A 59 13.224 5.769 0.639 1.00 0.00 C ATOM 912 CD ARG A 59 11.860 6.160 0.161 1.00 0.00 C ATOM 913 NE ARG A 59 11.660 7.596 0.113 1.00 0.00 N ATOM 914 CZ ARG A 59 10.484 8.135 -0.083 1.00 0.00 C ATOM 915 NH1 ARG A 59 9.409 7.566 0.434 1.00 0.00 N ATOM 916 NH2 ARG A 59 10.383 9.282 -0.732 1.00 0.00 N ATOM 0 H ARG A 59 13.003 4.514 -2.165 1.00 0.00 H new ATOM 0 HA ARG A 59 15.447 4.589 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.515 3.955 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.779 3.802 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.288 5.851 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.981 6.435 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.698 5.744 -0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.111 5.717 0.818 1.00 0.00 H new ATOM 0 HE ARG A 59 12.466 8.208 0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.499 6.711 0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.490 7.982 0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.222 9.747 -1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.466 9.702 -0.885 1.00 0.00 H new ATOM 930 N VAL A 60 13.521 2.019 -1.229 1.00 0.00 N ATOM 931 CA VAL A 60 13.386 0.653 -1.003 1.00 0.00 C ATOM 932 C VAL A 60 14.355 -0.255 -1.639 1.00 0.00 C ATOM 933 O VAL A 60 14.951 -1.103 -1.004 1.00 0.00 O ATOM 934 CB VAL A 60 12.044 0.244 -1.500 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.071 0.906 -0.825 1.00 0.00 C ATOM 936 CG2 VAL A 60 11.840 0.558 -2.875 1.00 0.00 C ATOM 0 H VAL A 60 12.684 2.458 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 60 13.555 0.549 0.069 1.00 0.00 H new ATOM 0 HB VAL A 60 11.999 -0.835 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.095 0.597 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.143 0.674 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 60 11.193 1.979 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.844 0.235 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.933 1.634 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.587 0.045 -3.480 1.00 0.00 H new ATOM 946 N ALA A 61 14.472 -0.022 -2.870 1.00 0.00 N ATOM 947 CA ALA A 61 14.796 -0.960 -3.772 1.00 0.00 C ATOM 948 C ALA A 61 15.934 -1.838 -3.492 1.00 0.00 C ATOM 949 O ALA A 61 15.838 -2.884 -2.832 1.00 0.00 O ATOM 950 CB ALA A 61 14.752 -0.371 -5.104 1.00 0.00 C ATOM 0 H ALA A 61 14.329 0.902 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 61 14.026 -1.728 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.014 -1.126 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.747 0.000 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.462 0.454 -5.161 1.00 0.00 H new ATOM 956 N GLY A 62 16.950 -1.421 -3.846 1.00 0.00 N ATOM 957 CA GLY A 62 18.043 -2.274 -3.831 1.00 0.00 C ATOM 958 C GLY A 62 18.911 -2.103 -2.679 1.00 0.00 C ATOM 959 O GLY A 62 20.144 -2.059 -2.753 1.00 0.00 O ATOM 0 H GLY A 62 17.125 -0.471 -4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.687 -3.304 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.626 -2.117 -4.739 1.00 0.00 H new ATOM 963 N GLU A 63 18.238 -1.951 -1.615 1.00 0.00 N ATOM 964 CA GLU A 63 18.781 -2.038 -0.329 1.00 0.00 C ATOM 965 C GLU A 63 19.212 -3.454 -0.154 1.00 0.00 C ATOM 966 O GLU A 63 20.314 -3.772 0.299 1.00 0.00 O ATOM 967 CB GLU A 63 17.694 -1.820 0.704 1.00 0.00 C ATOM 968 CG GLU A 63 17.298 -0.394 0.978 1.00 0.00 C ATOM 969 CD GLU A 63 16.636 -0.220 2.350 1.00 0.00 C ATOM 970 OE1 GLU A 63 17.331 0.218 3.317 1.00 0.00 O ATOM 971 OE2 GLU A 63 15.443 -0.561 2.535 1.00 0.00 O ATOM 0 H GLU A 63 17.238 -1.751 -1.618 1.00 0.00 H new ATOM 0 HA GLU A 63 19.582 -1.308 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.806 -2.364 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.021 -2.269 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.181 0.242 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.612 -0.056 0.202 1.00 0.00 H new ATOM 978 N MET A 64 18.320 -4.288 -0.581 1.00 0.00 N ATOM 979 CA MET A 64 18.393 -5.635 -0.386 1.00 0.00 C ATOM 980 C MET A 64 18.180 -6.395 -1.622 1.00 0.00 C ATOM 981 O MET A 64 19.064 -6.984 -2.202 1.00 0.00 O ATOM 982 CB MET A 64 17.288 -6.027 0.503 1.00 0.00 C ATOM 983 CG MET A 64 17.278 -5.610 1.903 1.00 0.00 C ATOM 984 SD MET A 64 15.714 -6.120 2.621 1.00 0.00 S ATOM 985 CE MET A 64 14.576 -5.485 1.359 1.00 0.00 C ATOM 0 H MET A 64 17.491 -3.997 -1.099 1.00 0.00 H new ATOM 0 HA MET A 64 19.385 -5.848 0.013 1.00 0.00 H new ATOM 0 HB2 MET A 64 16.366 -5.660 0.052 1.00 0.00 H new ATOM 0 HB3 MET A 64 17.237 -7.116 0.491 1.00 0.00 H new ATOM 0 HG2 MET A 64 18.110 -6.063 2.442 1.00 0.00 H new ATOM 0 HG3 MET A 64 17.399 -4.529 1.980 1.00 0.00 H new ATOM 0 HE1 MET A 64 13.551 -5.731 1.636 1.00 0.00 H new ATOM 0 HE2 MET A 64 14.682 -4.403 1.285 1.00 0.00 H new ATOM 0 HE3 MET A 64 14.810 -5.939 0.396 1.00 0.00 H new ATOM 995 N ASN A 65 16.957 -6.407 -1.954 1.00 0.00 N ATOM 996 CA ASN A 65 16.427 -7.293 -2.885 1.00 0.00 C ATOM 997 C ASN A 65 15.570 -6.745 -3.952 1.00 0.00 C ATOM 998 O ASN A 65 14.722 -7.456 -4.381 1.00 0.00 O ATOM 999 CB ASN A 65 15.566 -8.185 -2.077 1.00 0.00 C ATOM 1000 CG ASN A 65 16.213 -9.063 -1.186 1.00 0.00 C ATOM 1001 OD1 ASN A 65 17.280 -9.612 -1.452 1.00 0.00 O ATOM 1002 ND2 ASN A 65 15.616 -9.168 -0.072 1.00 0.00 N ATOM 0 H ASN A 65 16.267 -5.766 -1.562 1.00 0.00 H new ATOM 0 HA ASN A 65 17.272 -7.732 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.880 -7.564 -1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 65 14.960 -8.781 -2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.021 -9.737 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.731 -8.684 0.080 1.00 0.00 H new ATOM 1009 N LEU A 66 15.765 -5.591 -4.401 1.00 0.00 N ATOM 1010 CA LEU A 66 14.816 -5.037 -5.358 1.00 0.00 C ATOM 1011 C LEU A 66 15.448 -4.324 -6.513 1.00 0.00 C ATOM 1012 O LEU A 66 16.248 -3.393 -6.375 1.00 0.00 O ATOM 1013 CB LEU A 66 14.008 -4.067 -4.618 1.00 0.00 C ATOM 1014 CG LEU A 66 13.069 -4.413 -3.533 1.00 0.00 C ATOM 1015 CD1 LEU A 66 12.393 -3.196 -3.056 1.00 0.00 C ATOM 1016 CD2 LEU A 66 12.160 -5.465 -3.957 1.00 0.00 C ATOM 0 H LEU A 66 16.547 -4.986 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 66 14.248 -5.864 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.711 -3.352 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.422 -3.531 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 66 13.613 -4.822 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.700 -3.455 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.135 -2.491 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.842 -2.740 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.476 -5.705 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.590 -5.126 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.732 -6.354 -4.225 1.00 0.00 H new ATOM 1028 N SER A 67 14.971 -4.705 -7.622 1.00 0.00 N ATOM 1029 CA SER A 67 15.288 -4.164 -8.894 1.00 0.00 C ATOM 1030 C SER A 67 14.068 -3.280 -9.354 1.00 0.00 C ATOM 1031 O SER A 67 13.790 -3.123 -10.527 1.00 0.00 O ATOM 1032 CB SER A 67 15.491 -5.393 -9.780 1.00 0.00 C ATOM 1033 OG SER A 67 15.743 -5.084 -11.130 1.00 0.00 O ATOM 0 H SER A 67 14.293 -5.464 -7.682 1.00 0.00 H new ATOM 0 HA SER A 67 16.172 -3.526 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.324 -5.978 -9.389 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.603 -6.023 -9.721 1.00 0.00 H new ATOM 0 HG SER A 67 15.171 -4.338 -11.407 1.00 0.00 H new ATOM 1039 N LYS A 68 13.405 -2.632 -8.356 1.00 0.00 N ATOM 1040 CA LYS A 68 12.127 -1.853 -8.487 1.00 0.00 C ATOM 1041 C LYS A 68 10.984 -2.665 -9.050 1.00 0.00 C ATOM 1042 O LYS A 68 9.976 -2.730 -8.475 1.00 0.00 O ATOM 1043 CB LYS A 68 12.174 -0.513 -9.275 1.00 0.00 C ATOM 1044 CG LYS A 68 13.470 0.112 -9.577 1.00 0.00 C ATOM 1045 CD LYS A 68 14.207 0.298 -8.348 1.00 0.00 C ATOM 1046 CE LYS A 68 15.699 0.337 -8.645 1.00 0.00 C ATOM 1047 NZ LYS A 68 16.521 0.874 -7.530 1.00 0.00 N ATOM 0 H LYS A 68 13.755 -2.634 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 68 11.963 -1.596 -7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.663 -0.676 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.585 0.214 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.038 -0.515 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.318 1.071 -10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.898 1.225 -7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.986 -0.513 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.039 -0.671 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.867 0.946 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.400 1.280 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.987 1.613 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.753 0.106 -6.868 1.00 0.00 H new ATOM 1061 N THR A 69 11.155 -3.337 -10.116 1.00 0.00 N ATOM 1062 CA THR A 69 10.064 -3.894 -10.793 1.00 0.00 C ATOM 1063 C THR A 69 9.524 -5.112 -10.099 1.00 0.00 C ATOM 1064 O THR A 69 8.344 -5.436 -10.165 1.00 0.00 O ATOM 1065 CB THR A 69 10.467 -4.238 -12.151 1.00 0.00 C ATOM 1066 OG1 THR A 69 11.483 -5.257 -12.088 1.00 0.00 O ATOM 1067 CG2 THR A 69 11.017 -3.045 -12.848 1.00 0.00 C ATOM 0 H THR A 69 12.063 -3.516 -10.545 1.00 0.00 H new ATOM 0 HA THR A 69 9.267 -3.151 -10.809 1.00 0.00 H new ATOM 0 HB THR A 69 9.598 -4.598 -12.702 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.761 -5.498 -12.996 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.313 -3.319 -13.861 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.256 -2.266 -12.891 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.886 -2.674 -12.304 1.00 0.00 H new ATOM 1075 N GLN A 70 10.367 -5.724 -9.393 1.00 0.00 N ATOM 1076 CA GLN A 70 9.996 -6.854 -8.597 1.00 0.00 C ATOM 1077 C GLN A 70 9.271 -6.364 -7.327 1.00 0.00 C ATOM 1078 O GLN A 70 8.698 -7.127 -6.567 1.00 0.00 O ATOM 1079 CB GLN A 70 11.208 -7.622 -8.236 1.00 0.00 C ATOM 1080 CG GLN A 70 12.161 -6.818 -7.587 1.00 0.00 C ATOM 1081 CD GLN A 70 13.101 -7.609 -6.934 1.00 0.00 C ATOM 1082 OE1 GLN A 70 14.158 -7.919 -7.436 1.00 0.00 O ATOM 1083 NE2 GLN A 70 12.684 -8.034 -5.829 1.00 0.00 N ATOM 0 H GLN A 70 11.353 -5.471 -9.334 1.00 0.00 H new ATOM 0 HA GLN A 70 9.325 -7.503 -9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.932 -8.454 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.647 -8.052 -9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.659 -6.176 -8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.666 -6.164 -6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.780 -7.725 -5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.249 -8.688 -5.288 1.00 0.00 H new ATOM 1092 N LEU A 71 9.361 -5.077 -7.127 1.00 0.00 N ATOM 1093 CA LEU A 71 8.747 -4.356 -6.051 1.00 0.00 C ATOM 1094 C LEU A 71 7.453 -3.760 -6.570 1.00 0.00 C ATOM 1095 O LEU A 71 6.480 -3.748 -5.893 1.00 0.00 O ATOM 1096 CB LEU A 71 9.723 -3.232 -5.651 1.00 0.00 C ATOM 1097 CG LEU A 71 9.560 -2.450 -4.404 1.00 0.00 C ATOM 1098 CD1 LEU A 71 9.820 -1.011 -4.610 1.00 0.00 C ATOM 1099 CD2 LEU A 71 8.320 -2.662 -3.764 1.00 0.00 C ATOM 0 H LEU A 71 9.897 -4.471 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 71 8.533 -4.993 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.716 -3.679 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.728 -2.515 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 71 10.322 -2.831 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.688 -0.479 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.841 -0.873 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.123 -0.618 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.270 -2.058 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.510 -2.377 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.221 -3.716 -3.503 1.00 0.00 H new ATOM 1111 N ARG A 72 7.435 -3.303 -7.796 1.00 0.00 N ATOM 1112 CA ARG A 72 6.218 -2.666 -8.324 1.00 0.00 C ATOM 1113 C ARG A 72 5.134 -3.695 -8.444 1.00 0.00 C ATOM 1114 O ARG A 72 3.989 -3.400 -8.530 1.00 0.00 O ATOM 1115 CB ARG A 72 6.511 -1.985 -9.683 1.00 0.00 C ATOM 1116 CG ARG A 72 6.973 -2.923 -10.712 1.00 0.00 C ATOM 1117 CD ARG A 72 5.849 -3.612 -11.433 1.00 0.00 C ATOM 1118 NE ARG A 72 5.209 -2.741 -12.438 1.00 0.00 N ATOM 1119 CZ ARG A 72 4.776 -3.156 -13.649 1.00 0.00 C ATOM 1120 NH1 ARG A 72 4.823 -4.460 -13.974 1.00 0.00 N ATOM 1121 NH2 ARG A 72 4.289 -2.264 -14.530 1.00 0.00 N ATOM 0 H ARG A 72 8.219 -3.349 -8.447 1.00 0.00 H new ATOM 0 HA ARG A 72 5.882 -1.888 -7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.608 -1.486 -10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.266 -1.212 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.585 -2.385 -11.436 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.613 -3.674 -10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.230 -4.508 -11.923 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.102 -3.937 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 72 5.085 -1.757 -12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.186 -5.139 -13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.495 -4.770 -14.889 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.247 -1.275 -14.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.962 -2.576 -15.444 1.00 0.00 H new ATOM 1135 N SER A 73 5.579 -4.890 -8.472 1.00 0.00 N ATOM 1136 CA SER A 73 4.824 -6.044 -8.616 1.00 0.00 C ATOM 1137 C SER A 73 4.335 -6.520 -7.289 1.00 0.00 C ATOM 1138 O SER A 73 3.350 -7.238 -7.157 1.00 0.00 O ATOM 1139 CB SER A 73 5.726 -6.942 -9.288 1.00 0.00 C ATOM 1140 OG SER A 73 5.261 -8.254 -9.450 1.00 0.00 O ATOM 0 H SER A 73 6.575 -5.090 -8.386 1.00 0.00 H new ATOM 0 HA SER A 73 3.905 -5.923 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.954 -6.532 -10.272 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.662 -6.973 -8.731 1.00 0.00 H new ATOM 0 HG SER A 73 5.575 -8.807 -8.704 1.00 0.00 H new ATOM 1146 N ALA A 74 4.964 -6.005 -6.317 1.00 0.00 N ATOM 1147 CA ALA A 74 4.566 -6.216 -4.929 1.00 0.00 C ATOM 1148 C ALA A 74 3.417 -5.314 -4.684 1.00 0.00 C ATOM 1149 O ALA A 74 2.437 -5.616 -3.999 1.00 0.00 O ATOM 1150 CB ALA A 74 5.712 -5.890 -4.004 1.00 0.00 C ATOM 0 H ALA A 74 5.786 -5.411 -6.428 1.00 0.00 H new ATOM 0 HA ALA A 74 4.291 -7.254 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.403 -6.051 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.560 -6.535 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.002 -4.848 -4.137 1.00 0.00 H new ATOM 1156 N LEU A 75 3.474 -4.330 -5.450 1.00 0.00 N ATOM 1157 CA LEU A 75 2.688 -3.213 -5.438 1.00 0.00 C ATOM 1158 C LEU A 75 1.654 -3.331 -6.592 1.00 0.00 C ATOM 1159 O LEU A 75 1.230 -2.373 -7.237 1.00 0.00 O ATOM 1160 CB LEU A 75 3.729 -2.205 -5.573 1.00 0.00 C ATOM 1161 CG LEU A 75 4.102 -1.439 -4.365 1.00 0.00 C ATOM 1162 CD1 LEU A 75 5.467 -1.105 -4.483 1.00 0.00 C ATOM 1163 CD2 LEU A 75 3.395 -0.151 -4.241 1.00 0.00 C ATOM 0 H LEU A 75 4.167 -4.290 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 75 2.051 -3.008 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.626 -2.697 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.412 -1.495 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 75 3.854 -2.062 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.780 -0.537 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.060 -2.017 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.618 -0.503 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.719 0.356 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.622 0.473 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.321 -0.329 -4.194 1.00 0.00 H new ATOM 1175 N ARG A 76 1.312 -4.590 -6.776 1.00 0.00 N ATOM 1176 CA ARG A 76 0.278 -5.207 -7.632 1.00 0.00 C ATOM 1177 C ARG A 76 -0.347 -6.271 -6.788 1.00 0.00 C ATOM 1178 O ARG A 76 -1.539 -6.398 -6.692 1.00 0.00 O ATOM 1179 CB ARG A 76 0.844 -6.001 -8.825 1.00 0.00 C ATOM 1180 CG ARG A 76 0.840 -5.342 -10.167 1.00 0.00 C ATOM 1181 CD ARG A 76 1.710 -4.166 -10.153 1.00 0.00 C ATOM 1182 NE ARG A 76 1.011 -2.915 -9.871 1.00 0.00 N ATOM 1183 CZ ARG A 76 0.457 -2.111 -10.781 1.00 0.00 C ATOM 1184 NH1 ARG A 76 0.253 -2.538 -12.037 1.00 0.00 N ATOM 1185 NH2 ARG A 76 0.062 -0.909 -10.424 1.00 0.00 N ATOM 0 H ARG A 76 1.813 -5.316 -6.265 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.364 -4.406 -7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.873 -6.273 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.280 -6.930 -8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.179 -6.046 -10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.176 -5.049 -10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.489 -4.312 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.207 -4.083 -11.119 1.00 0.00 H new ATOM 0 HE ARG A 76 0.940 -2.631 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.522 -3.485 -12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.171 -1.915 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.180 -0.599 -9.460 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.363 -0.287 -11.112 1.00 0.00 H new ATOM 1199 N LEU A 77 0.538 -7.015 -6.152 1.00 0.00 N ATOM 1200 CA LEU A 77 0.237 -8.186 -5.393 1.00 0.00 C ATOM 1201 C LEU A 77 -0.658 -7.886 -4.274 1.00 0.00 C ATOM 1202 O LEU A 77 -1.821 -8.265 -4.264 1.00 0.00 O ATOM 1203 CB LEU A 77 1.512 -8.699 -4.809 1.00 0.00 C ATOM 1204 CG LEU A 77 1.471 -9.961 -4.084 1.00 0.00 C ATOM 1205 CD1 LEU A 77 2.545 -10.786 -4.608 1.00 0.00 C ATOM 1206 CD2 LEU A 77 1.806 -9.642 -2.704 1.00 0.00 C ATOM 0 H LEU A 77 1.534 -6.797 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.243 -8.908 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.233 -8.803 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.900 -7.937 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 77 0.507 -10.461 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.552 -11.746 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.391 -10.949 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.499 -10.283 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.792 -10.553 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.800 -9.197 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.077 -8.936 -2.306 1.00 0.00 H new ATOM 1218 N TYR A 78 -0.128 -7.144 -3.336 1.00 0.00 N ATOM 1219 CA TYR A 78 -0.874 -6.927 -2.159 1.00 0.00 C ATOM 1220 C TYR A 78 -1.876 -5.824 -2.422 1.00 0.00 C ATOM 1221 O TYR A 78 -2.750 -5.544 -1.641 1.00 0.00 O ATOM 1222 CB TYR A 78 -0.016 -6.675 -0.898 1.00 0.00 C ATOM 1223 CG TYR A 78 0.183 -5.296 -0.505 1.00 0.00 C ATOM 1224 CD1 TYR A 78 0.576 -4.347 -1.398 1.00 0.00 C ATOM 1225 CD2 TYR A 78 -0.068 -4.945 0.768 1.00 0.00 C ATOM 1226 CE1 TYR A 78 0.694 -3.073 -1.029 1.00 0.00 C ATOM 1227 CE2 TYR A 78 0.063 -3.693 1.173 1.00 0.00 C ATOM 1228 CZ TYR A 78 0.438 -2.741 0.295 1.00 0.00 C ATOM 1229 OH TYR A 78 0.485 -1.464 0.713 1.00 0.00 O ATOM 0 H TYR A 78 0.789 -6.699 -3.374 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.401 -7.850 -1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.477 -7.202 -0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 78 0.963 -7.127 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.795 -4.630 -2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.383 -5.700 1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.982 -2.315 -1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.130 -3.434 2.204 1.00 0.00 H new ATOM 0 HH TYR A 78 1.404 -1.131 0.646 1.00 0.00 H new ATOM 1239 N THR A 79 -1.693 -5.171 -3.549 1.00 0.00 N ATOM 1240 CA THR A 79 -2.611 -4.097 -3.933 1.00 0.00 C ATOM 1241 C THR A 79 -3.858 -4.666 -4.591 1.00 0.00 C ATOM 1242 O THR A 79 -4.831 -3.978 -4.811 1.00 0.00 O ATOM 1243 CB THR A 79 -1.943 -3.065 -4.826 1.00 0.00 C ATOM 1244 OG1 THR A 79 -1.706 -3.583 -6.118 1.00 0.00 O ATOM 1245 CG2 THR A 79 -0.644 -2.729 -4.213 1.00 0.00 C ATOM 0 H THR A 79 -0.937 -5.352 -4.209 1.00 0.00 H new ATOM 0 HA THR A 79 -2.908 -3.581 -3.020 1.00 0.00 H new ATOM 0 HB THR A 79 -2.591 -2.194 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.481 -3.403 -6.690 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.132 -1.988 -4.827 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.807 -2.323 -3.215 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.031 -3.628 -4.143 1.00 0.00 H new ATOM 1253 N SER A 80 -3.788 -5.927 -4.926 1.00 0.00 N ATOM 1254 CA SER A 80 -4.932 -6.658 -5.384 1.00 0.00 C ATOM 1255 C SER A 80 -5.581 -7.311 -4.178 1.00 0.00 C ATOM 1256 O SER A 80 -6.539 -8.069 -4.298 1.00 0.00 O ATOM 1257 CB SER A 80 -4.541 -7.708 -6.429 1.00 0.00 C ATOM 1258 OG SER A 80 -3.927 -7.096 -7.554 1.00 0.00 O ATOM 0 H SER A 80 -2.929 -6.476 -4.887 1.00 0.00 H new ATOM 0 HA SER A 80 -5.634 -5.979 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.858 -8.432 -5.985 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.426 -8.258 -6.747 1.00 0.00 H new ATOM 0 HG SER A 80 -3.093 -6.662 -7.276 1.00 0.00 H new ATOM 1264 N SER A 81 -5.042 -7.005 -2.992 1.00 0.00 N ATOM 1265 CA SER A 81 -5.631 -7.460 -1.805 1.00 0.00 C ATOM 1266 C SER A 81 -6.715 -6.538 -1.493 1.00 0.00 C ATOM 1267 O SER A 81 -6.708 -5.399 -1.901 1.00 0.00 O ATOM 1268 CB SER A 81 -4.639 -7.525 -0.664 1.00 0.00 C ATOM 1269 OG SER A 81 -5.232 -7.817 0.591 1.00 0.00 O ATOM 0 H SER A 81 -4.200 -6.443 -2.867 1.00 0.00 H new ATOM 0 HA SER A 81 -6.000 -8.477 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.890 -8.285 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.115 -6.572 -0.595 1.00 0.00 H new ATOM 0 HG SER A 81 -4.707 -7.399 1.306 1.00 0.00 H new ATOM 1275 N TRP A 82 -7.576 -7.002 -0.745 1.00 0.00 N ATOM 1276 CA TRP A 82 -8.786 -6.289 -0.431 1.00 0.00 C ATOM 1277 C TRP A 82 -8.516 -5.307 0.567 1.00 0.00 C ATOM 1278 O TRP A 82 -8.925 -4.191 0.451 1.00 0.00 O ATOM 1279 CB TRP A 82 -9.814 -7.213 0.087 1.00 0.00 C ATOM 1280 CG TRP A 82 -11.111 -6.780 -0.126 1.00 0.00 C ATOM 1281 CD1 TRP A 82 -11.551 -6.157 -1.184 1.00 0.00 C ATOM 1282 CD2 TRP A 82 -12.161 -6.981 0.689 1.00 0.00 C ATOM 1283 NE1 TRP A 82 -12.838 -5.923 -1.077 1.00 0.00 N ATOM 1284 CE2 TRP A 82 -13.245 -6.430 0.081 1.00 0.00 C ATOM 1285 CE3 TRP A 82 -12.300 -7.562 1.886 1.00 0.00 C ATOM 1286 CZ2 TRP A 82 -14.441 -6.440 0.634 1.00 0.00 C ATOM 1287 CZ3 TRP A 82 -13.509 -7.565 2.423 1.00 0.00 C ATOM 1288 CH2 TRP A 82 -14.564 -6.994 1.789 1.00 0.00 C ATOM 0 H TRP A 82 -7.501 -7.914 -0.295 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.151 -5.815 -1.342 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.684 -8.187 -0.384 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -9.658 -7.353 1.157 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.942 -5.873 -2.029 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -13.421 -5.439 -1.760 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -11.459 -8.011 2.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -15.290 -5.998 0.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -13.659 -8.031 3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -15.533 -7.005 2.266 1.00 0.00 H new ATOM 1299 N ARG A 83 -7.814 -5.730 1.523 1.00 0.00 N ATOM 1300 CA ARG A 83 -7.432 -4.943 2.683 1.00 0.00 C ATOM 1301 C ARG A 83 -6.690 -3.726 2.300 1.00 0.00 C ATOM 1302 O ARG A 83 -6.586 -2.768 3.063 1.00 0.00 O ATOM 1303 CB ARG A 83 -6.659 -5.793 3.542 1.00 0.00 C ATOM 1304 CG ARG A 83 -6.412 -5.307 4.922 1.00 0.00 C ATOM 1305 CD ARG A 83 -7.653 -5.456 5.702 1.00 0.00 C ATOM 1306 NE ARG A 83 -8.100 -6.875 5.718 1.00 0.00 N ATOM 1307 CZ ARG A 83 -8.662 -7.519 6.738 1.00 0.00 C ATOM 1308 NH1 ARG A 83 -9.003 -6.860 7.852 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -8.889 -8.833 6.637 1.00 0.00 N ATOM 0 H ARG A 83 -7.452 -6.683 1.554 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.320 -4.590 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.163 -6.758 3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.694 -5.969 3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.604 -5.875 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.099 -4.263 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.490 -5.110 6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.435 -4.829 5.274 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.962 -7.409 4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.833 -5.857 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.433 -7.361 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.632 -9.331 5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.319 -9.337 7.412 1.00 0.00 H new ATOM 1323 N TYR A 84 -6.179 -3.794 1.142 1.00 0.00 N ATOM 1324 CA TYR A 84 -5.632 -2.715 0.503 1.00 0.00 C ATOM 1325 C TYR A 84 -6.753 -1.704 0.261 1.00 0.00 C ATOM 1326 O TYR A 84 -6.835 -0.698 0.927 1.00 0.00 O ATOM 1327 CB TYR A 84 -5.033 -3.224 -0.779 1.00 0.00 C ATOM 1328 CG TYR A 84 -4.603 -2.189 -1.738 1.00 0.00 C ATOM 1329 CD1 TYR A 84 -5.478 -1.836 -2.727 1.00 0.00 C ATOM 1330 CD2 TYR A 84 -3.353 -1.568 -1.694 1.00 0.00 C ATOM 1331 CE1 TYR A 84 -5.165 -0.910 -3.660 1.00 0.00 C ATOM 1332 CE2 TYR A 84 -3.043 -0.631 -2.631 1.00 0.00 C ATOM 1333 CZ TYR A 84 -3.941 -0.301 -3.614 1.00 0.00 C ATOM 1334 OH TYR A 84 -3.598 0.634 -4.563 1.00 0.00 O ATOM 0 H TYR A 84 -6.137 -4.657 0.600 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.851 -2.220 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.173 -3.847 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.763 -3.867 -1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.447 -2.311 -2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.641 -1.828 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.874 -0.653 -4.434 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.080 -0.142 -2.600 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.441 1.498 -4.129 1.00 0.00 H new ATOM 1344 N LEU A 85 -7.695 -2.074 -0.573 1.00 0.00 N ATOM 1345 CA LEU A 85 -8.742 -1.169 -1.007 1.00 0.00 C ATOM 1346 C LEU A 85 -9.839 -0.841 -0.067 1.00 0.00 C ATOM 1347 O LEU A 85 -10.817 -0.234 -0.464 1.00 0.00 O ATOM 1348 CB LEU A 85 -9.319 -1.406 -2.340 1.00 0.00 C ATOM 1349 CG LEU A 85 -9.913 -2.723 -2.788 1.00 0.00 C ATOM 1350 CD1 LEU A 85 -8.889 -3.726 -2.931 1.00 0.00 C ATOM 1351 CD2 LEU A 85 -10.893 -3.182 -1.805 1.00 0.00 C ATOM 0 H LEU A 85 -7.761 -3.010 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.101 -0.289 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.104 -0.660 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.533 -1.168 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.394 -2.568 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.341 -4.664 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.161 -3.399 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.389 -3.875 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.319 -4.131 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.405 -3.316 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.687 -2.442 -1.710 1.00 0.00 H new ATOM 1363 N TYR A 86 -9.673 -1.168 1.139 1.00 0.00 N ATOM 1364 CA TYR A 86 -10.570 -0.838 2.198 1.00 0.00 C ATOM 1365 C TYR A 86 -10.736 0.675 2.295 1.00 0.00 C ATOM 1366 O TYR A 86 -11.652 1.201 2.923 1.00 0.00 O ATOM 1367 CB TYR A 86 -9.970 -1.345 3.405 1.00 0.00 C ATOM 1368 CG TYR A 86 -10.343 -2.705 3.767 1.00 0.00 C ATOM 1369 CD1 TYR A 86 -10.304 -3.680 2.828 1.00 0.00 C ATOM 1370 CD2 TYR A 86 -10.764 -3.027 5.036 1.00 0.00 C ATOM 1371 CE1 TYR A 86 -10.655 -4.917 3.090 1.00 0.00 C ATOM 1372 CE2 TYR A 86 -11.125 -4.308 5.342 1.00 0.00 C ATOM 1373 CZ TYR A 86 -11.075 -5.265 4.362 1.00 0.00 C ATOM 1374 OH TYR A 86 -11.431 -6.553 4.660 1.00 0.00 O ATOM 0 H TYR A 86 -8.865 -1.706 1.454 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.557 -1.269 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.886 -1.300 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.236 -0.682 4.228 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -9.973 -3.431 1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.809 -2.261 5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -10.616 -5.665 2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.445 -4.563 6.341 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.936 -6.934 3.912 1.00 0.00 H new ATOM 1384 N GLY A 87 -9.804 1.316 1.667 1.00 0.00 N ATOM 1385 CA GLY A 87 -9.758 2.684 1.481 1.00 0.00 C ATOM 1386 C GLY A 87 -8.738 3.000 0.516 1.00 0.00 C ATOM 1387 O GLY A 87 -7.745 3.427 0.874 1.00 0.00 O ATOM 0 H GLY A 87 -9.007 0.837 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.726 3.048 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.547 3.184 2.426 1.00 0.00 H new ATOM 1391 N VAL A 88 -8.976 2.779 -0.750 1.00 0.00 N ATOM 1392 CA VAL A 88 -8.003 3.125 -1.755 1.00 0.00 C ATOM 1393 C VAL A 88 -8.626 3.634 -3.060 1.00 0.00 C ATOM 1394 O VAL A 88 -9.477 3.001 -3.647 1.00 0.00 O ATOM 1395 CB VAL A 88 -7.135 1.958 -2.200 1.00 0.00 C ATOM 1396 CG1 VAL A 88 -6.115 2.432 -3.239 1.00 0.00 C ATOM 1397 CG2 VAL A 88 -6.431 1.414 -1.071 1.00 0.00 C ATOM 0 H VAL A 88 -9.834 2.361 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.421 3.894 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.776 1.193 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.497 1.591 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.639 2.840 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.482 3.204 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.811 0.579 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.799 2.185 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.149 1.065 -0.328 1.00 0.00 H new ATOM 1407 N LYS A 89 -8.222 4.784 -3.389 1.00 0.00 N ATOM 1408 CA LYS A 89 -8.231 5.403 -4.719 1.00 0.00 C ATOM 1409 C LYS A 89 -7.741 6.751 -4.553 1.00 0.00 C ATOM 1410 O LYS A 89 -6.752 7.116 -5.168 1.00 0.00 O ATOM 1411 CB LYS A 89 -9.514 5.344 -5.652 1.00 0.00 C ATOM 1412 CG LYS A 89 -9.353 6.219 -6.965 1.00 0.00 C ATOM 1413 CD LYS A 89 -9.667 7.748 -6.758 1.00 0.00 C ATOM 1414 CE LYS A 89 -8.753 8.699 -7.596 1.00 0.00 C ATOM 1415 NZ LYS A 89 -7.392 8.968 -6.970 1.00 0.00 N ATOM 0 H LYS A 89 -7.828 5.414 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.594 4.750 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.708 4.308 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.382 5.692 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.333 6.115 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.014 5.824 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.708 7.934 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.557 7.992 -5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.606 8.265 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.269 9.648 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.708 9.208 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.468 9.761 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.069 8.119 -6.464 1.00 0.00 H new ATOM 1429 N PRO A 90 -8.426 7.580 -3.739 1.00 0.00 N ATOM 1430 CA PRO A 90 -7.917 8.846 -3.427 1.00 0.00 C ATOM 1431 C PRO A 90 -6.873 8.693 -2.345 1.00 0.00 C ATOM 1432 O PRO A 90 -6.191 7.664 -2.246 1.00 0.00 O ATOM 1433 CB PRO A 90 -9.131 9.609 -2.901 1.00 0.00 C ATOM 1434 CG PRO A 90 -10.304 8.735 -3.120 1.00 0.00 C ATOM 1435 CD PRO A 90 -9.748 7.373 -3.095 1.00 0.00 C ATOM 0 HA PRO A 90 -7.447 9.355 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.014 9.843 -1.843 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.250 10.557 -3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.055 8.873 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.789 8.950 -4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.654 6.987 -2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.367 6.667 -3.648 1.00 0.00 H new ATOM 1443 N GLY A 91 -6.829 9.661 -1.456 1.00 0.00 N ATOM 1444 CA GLY A 91 -5.909 9.715 -0.394 1.00 0.00 C ATOM 1445 C GLY A 91 -6.190 8.754 0.727 1.00 0.00 C ATOM 1446 O GLY A 91 -5.755 8.836 1.846 1.00 0.00 O ATOM 0 H GLY A 91 -7.470 10.454 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.911 9.515 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.897 10.728 0.008 1.00 0.00 H new ATOM 1450 N ALA A 92 -6.936 7.891 0.330 1.00 0.00 N ATOM 1451 CA ALA A 92 -7.433 6.723 0.980 1.00 0.00 C ATOM 1452 C ALA A 92 -6.353 5.882 1.413 1.00 0.00 C ATOM 1453 O ALA A 92 -6.432 5.250 2.447 1.00 0.00 O ATOM 1454 CB ALA A 92 -8.285 6.058 -0.012 1.00 0.00 C ATOM 0 H ALA A 92 -7.307 7.949 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.997 6.962 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.703 5.148 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.095 6.727 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.691 5.804 -0.890 1.00 0.00 H new ATOM 1460 N THR A 93 -5.393 5.890 0.616 1.00 0.00 N ATOM 1461 CA THR A 93 -4.146 5.314 0.843 1.00 0.00 C ATOM 1462 C THR A 93 -3.609 5.690 2.208 1.00 0.00 C ATOM 1463 O THR A 93 -3.111 4.877 2.933 1.00 0.00 O ATOM 1464 CB THR A 93 -3.196 5.886 -0.187 1.00 0.00 C ATOM 1465 OG1 THR A 93 -1.853 5.663 0.142 1.00 0.00 O ATOM 1466 CG2 THR A 93 -3.486 7.337 -0.449 1.00 0.00 C ATOM 0 H THR A 93 -5.455 6.338 -0.298 1.00 0.00 H new ATOM 0 HA THR A 93 -4.236 4.229 0.783 1.00 0.00 H new ATOM 0 HB THR A 93 -3.370 5.347 -1.119 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.314 6.429 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.787 7.719 -1.193 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.505 7.443 -0.820 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.376 7.903 0.476 1.00 0.00 H new ATOM 1474 N ARG A 94 -3.764 6.955 2.517 1.00 0.00 N ATOM 1475 CA ARG A 94 -3.177 7.596 3.620 1.00 0.00 C ATOM 1476 C ARG A 94 -1.669 7.635 3.548 1.00 0.00 C ATOM 1477 O ARG A 94 -1.051 8.131 4.451 1.00 0.00 O ATOM 1478 CB ARG A 94 -3.581 7.032 4.945 1.00 0.00 C ATOM 1479 CG ARG A 94 -4.926 7.480 5.527 1.00 0.00 C ATOM 1480 CD ARG A 94 -6.130 6.792 4.881 1.00 0.00 C ATOM 1481 NE ARG A 94 -7.384 7.149 5.561 1.00 0.00 N ATOM 1482 CZ ARG A 94 -8.599 6.806 5.148 1.00 0.00 C ATOM 1483 NH1 ARG A 94 -8.744 6.013 4.074 1.00 0.00 N ATOM 1484 NH2 ARG A 94 -9.665 7.208 5.835 1.00 0.00 N ATOM 0 H ARG A 94 -4.342 7.583 1.958 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.567 8.612 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.599 5.946 4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.803 7.280 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.934 7.279 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.025 8.559 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.191 7.075 3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.993 5.711 4.912 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.316 7.702 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.921 5.674 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.677 5.750 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.547 7.776 6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.601 6.948 5.523 1.00 0.00 H new ATOM 1498 N VAL A 95 -1.057 7.108 2.475 1.00 0.00 N ATOM 1499 CA VAL A 95 0.344 7.015 2.427 1.00 0.00 C ATOM 1500 C VAL A 95 0.992 7.241 1.028 1.00 0.00 C ATOM 1501 O VAL A 95 0.411 7.172 -0.032 1.00 0.00 O ATOM 1502 CB VAL A 95 0.889 5.674 2.983 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -0.051 5.061 3.924 1.00 0.00 C ATOM 1504 CG2 VAL A 95 1.297 4.755 1.874 1.00 0.00 C ATOM 0 H VAL A 95 -1.540 6.751 1.651 1.00 0.00 H new ATOM 0 HA VAL A 95 0.636 7.846 3.069 1.00 0.00 H new ATOM 0 HB VAL A 95 1.792 5.884 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.364 4.123 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.221 5.738 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.997 4.865 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.675 3.823 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.435 4.544 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.078 5.228 1.279 1.00 0.00 H new ATOM 1514 N ASP A 96 2.135 7.622 1.233 1.00 0.00 N ATOM 1515 CA ASP A 96 3.322 7.674 0.469 1.00 0.00 C ATOM 1516 C ASP A 96 4.157 7.104 1.535 1.00 0.00 C ATOM 1517 O ASP A 96 3.640 6.887 2.648 1.00 0.00 O ATOM 1518 CB ASP A 96 3.791 9.108 0.189 1.00 0.00 C ATOM 1519 CG ASP A 96 2.970 9.796 -0.849 1.00 0.00 C ATOM 1520 OD1 ASP A 96 3.249 9.610 -2.039 1.00 0.00 O ATOM 1521 OD2 ASP A 96 2.031 10.500 -0.497 1.00 0.00 O ATOM 0 H ASP A 96 2.338 8.002 2.158 1.00 0.00 H new ATOM 0 HA ASP A 96 3.291 7.210 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.755 9.684 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.832 9.088 -0.133 1.00 0.00 H new ATOM 1526 N LEU A 97 5.321 6.822 1.340 1.00 0.00 N ATOM 1527 CA LEU A 97 6.059 6.261 2.340 1.00 0.00 C ATOM 1528 C LEU A 97 6.478 7.165 3.500 1.00 0.00 C ATOM 1529 O LEU A 97 7.198 6.764 4.410 1.00 0.00 O ATOM 1530 CB LEU A 97 7.002 5.373 1.773 1.00 0.00 C ATOM 1531 CG LEU A 97 6.455 4.695 0.616 1.00 0.00 C ATOM 1532 CD1 LEU A 97 7.419 4.661 -0.448 1.00 0.00 C ATOM 1533 CD2 LEU A 97 6.225 3.420 0.997 1.00 0.00 C ATOM 0 H LEU A 97 5.819 6.972 0.462 1.00 0.00 H new ATOM 0 HA LEU A 97 5.403 5.646 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.897 5.925 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.307 4.638 2.518 1.00 0.00 H new ATOM 0 HG LEU A 97 5.557 5.206 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.992 4.148 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.688 5.680 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.310 4.130 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.810 2.859 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.161 2.960 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.518 3.410 1.826 1.00 0.00 H new ATOM 1545 N ASP A 98 5.860 8.315 3.506 1.00 0.00 N ATOM 1546 CA ASP A 98 5.885 9.283 4.536 1.00 0.00 C ATOM 1547 C ASP A 98 4.663 8.951 5.380 1.00 0.00 C ATOM 1548 O ASP A 98 4.738 8.698 6.582 1.00 0.00 O ATOM 1549 CB ASP A 98 5.641 10.653 3.915 1.00 0.00 C ATOM 1550 CG ASP A 98 5.863 11.788 4.880 1.00 0.00 C ATOM 1551 OD1 ASP A 98 6.959 12.374 4.849 1.00 0.00 O ATOM 1552 OD2 ASP A 98 4.954 12.090 5.647 1.00 0.00 O ATOM 0 H ASP A 98 5.282 8.610 2.719 1.00 0.00 H new ATOM 0 HA ASP A 98 6.823 9.287 5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.302 10.779 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.619 10.698 3.540 1.00 0.00 H new ATOM 1557 N GLY A 99 3.579 8.712 4.635 1.00 0.00 N ATOM 1558 CA GLY A 99 2.280 8.500 5.171 1.00 0.00 C ATOM 1559 C GLY A 99 1.365 9.722 4.955 1.00 0.00 C ATOM 1560 O GLY A 99 0.659 10.165 5.846 1.00 0.00 O ATOM 0 H GLY A 99 3.608 8.664 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.832 7.623 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.357 8.288 6.237 1.00 0.00 H new ATOM 1564 N ASN A 100 1.421 10.220 3.728 1.00 0.00 N ATOM 1565 CA ASN A 100 0.616 11.274 3.151 1.00 0.00 C ATOM 1566 C ASN A 100 -0.348 10.545 2.328 1.00 0.00 C ATOM 1567 O ASN A 100 0.036 9.650 1.771 1.00 0.00 O ATOM 1568 CB ASN A 100 1.516 11.985 2.197 1.00 0.00 C ATOM 1569 CG ASN A 100 2.346 13.003 2.733 1.00 0.00 C ATOM 1570 OD1 ASN A 100 2.013 13.696 3.679 1.00 0.00 O ATOM 1571 ND2 ASN A 100 3.420 13.151 2.102 1.00 0.00 N ATOM 0 H ASN A 100 2.095 9.859 3.053 1.00 0.00 H new ATOM 0 HA ASN A 100 0.164 11.951 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.155 11.244 1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.899 12.427 1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.074 13.886 2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.640 12.536 1.318 1.00 0.00 H new ATOM 1578 N PRO A 101 -1.569 10.952 2.155 1.00 0.00 N ATOM 1579 CA PRO A 101 -2.636 10.159 1.497 1.00 0.00 C ATOM 1580 C PRO A 101 -2.467 10.185 0.043 1.00 0.00 C ATOM 1581 O PRO A 101 -3.277 10.725 -0.673 1.00 0.00 O ATOM 1582 CB PRO A 101 -3.849 10.981 1.899 1.00 0.00 C ATOM 1583 CG PRO A 101 -3.336 11.786 3.042 1.00 0.00 C ATOM 1584 CD PRO A 101 -2.076 12.208 2.486 1.00 0.00 C ATOM 0 HA PRO A 101 -2.671 9.105 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.198 11.614 1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.687 10.349 2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.987 12.625 3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.217 11.196 3.951 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.192 12.860 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.453 12.741 3.205 1.00 0.00 H new ATOM 1592 N CYS A 102 -1.359 9.632 -0.391 1.00 0.00 N ATOM 1593 CA CYS A 102 -0.796 9.908 -1.719 1.00 0.00 C ATOM 1594 C CYS A 102 -0.568 11.450 -1.889 1.00 0.00 C ATOM 1595 O CYS A 102 -0.068 11.942 -2.899 1.00 0.00 O ATOM 1596 CB CYS A 102 -1.570 9.156 -2.874 1.00 0.00 C ATOM 1597 SG CYS A 102 -1.674 9.911 -4.507 1.00 0.00 S ATOM 0 H CYS A 102 -0.810 8.972 0.160 1.00 0.00 H new ATOM 0 HA CYS A 102 0.199 9.471 -1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -1.106 8.177 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.589 8.985 -2.527 1.00 0.00 H new ATOM 0 HG CYS A 102 -2.922 10.055 -4.840 1.00 0.00 H new ATOM 1603 N GLY A 103 -0.875 12.134 -0.763 1.00 0.00 N ATOM 1604 CA GLY A 103 -0.863 13.567 -0.561 1.00 0.00 C ATOM 1605 C GLY A 103 -1.998 14.207 -1.269 1.00 0.00 C ATOM 1606 O GLY A 103 -2.095 15.415 -1.416 1.00 0.00 O ATOM 0 H GLY A 103 -1.158 11.641 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.921 13.789 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.078 13.982 -0.922 1.00 0.00 H new ATOM 1610 N GLU A 104 -2.833 13.356 -1.656 1.00 0.00 N ATOM 1611 CA GLU A 104 -3.955 13.584 -2.438 1.00 0.00 C ATOM 1612 C GLU A 104 -5.180 13.980 -1.616 1.00 0.00 C ATOM 1613 O GLU A 104 -5.965 14.835 -2.037 1.00 0.00 O ATOM 1614 CB GLU A 104 -4.141 12.295 -3.223 1.00 0.00 C ATOM 1615 CG GLU A 104 -5.481 11.698 -3.233 1.00 0.00 C ATOM 1616 CD GLU A 104 -5.625 10.746 -4.436 1.00 0.00 C ATOM 1617 OE1 GLU A 104 -4.747 9.892 -4.634 1.00 0.00 O ATOM 1618 OE2 GLU A 104 -6.676 10.805 -5.160 1.00 0.00 O ATOM 0 H GLU A 104 -2.738 12.372 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.824 14.438 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.849 12.485 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.446 11.555 -2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.652 11.153 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.237 12.482 -3.286 1.00 0.00 H new ATOM 1625 N LEU A 105 -5.361 13.391 -0.449 1.00 0.00 N ATOM 1626 CA LEU A 105 -6.515 13.684 0.273 1.00 0.00 C ATOM 1627 C LEU A 105 -6.234 13.853 1.784 1.00 0.00 C ATOM 1628 O LEU A 105 -5.133 13.797 2.211 1.00 0.00 O ATOM 1629 CB LEU A 105 -7.567 12.603 -0.095 1.00 0.00 C ATOM 1630 CG LEU A 105 -9.009 12.957 0.184 1.00 0.00 C ATOM 1631 CD1 LEU A 105 -9.945 12.235 -0.707 1.00 0.00 C ATOM 1632 CD2 LEU A 105 -9.275 12.582 1.508 1.00 0.00 C ATOM 0 H LEU A 105 -4.721 12.726 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.922 14.658 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.469 12.376 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.326 11.690 0.450 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.152 14.024 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.969 12.522 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.729 12.490 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.827 11.161 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.310 12.821 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.113 11.510 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.609 13.123 2.180 1.00 0.00 H new ATOM 1644 N ASP A 106 -7.245 14.250 2.465 1.00 0.00 N ATOM 1645 CA ASP A 106 -7.473 14.251 3.901 1.00 0.00 C ATOM 1646 C ASP A 106 -7.791 12.765 4.235 1.00 0.00 C ATOM 1647 O ASP A 106 -7.214 11.851 3.629 1.00 0.00 O ATOM 1648 CB ASP A 106 -8.736 15.209 4.001 1.00 0.00 C ATOM 1649 CG ASP A 106 -9.707 15.051 5.114 1.00 0.00 C ATOM 1650 OD1 ASP A 106 -9.323 14.945 6.248 1.00 0.00 O ATOM 1651 OD2 ASP A 106 -10.902 14.947 4.787 1.00 0.00 O ATOM 0 H ASP A 106 -8.054 14.639 1.980 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.679 14.583 4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.363 16.232 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.293 15.108 3.069 1.00 0.00 H new ATOM 1656 N GLU A 107 -8.638 12.518 5.123 1.00 0.00 N ATOM 1657 CA GLU A 107 -9.134 11.194 5.310 1.00 0.00 C ATOM 1658 C GLU A 107 -10.622 11.143 5.403 1.00 0.00 C ATOM 1659 O GLU A 107 -11.213 10.071 5.323 1.00 0.00 O ATOM 1660 CB GLU A 107 -8.512 10.510 6.439 1.00 0.00 C ATOM 1661 CG GLU A 107 -9.335 10.617 7.682 1.00 0.00 C ATOM 1662 CD GLU A 107 -9.065 9.476 8.605 1.00 0.00 C ATOM 1663 OE1 GLU A 107 -9.495 8.324 8.237 1.00 0.00 O ATOM 1664 OE2 GLU A 107 -8.496 9.672 9.651 1.00 0.00 O ATOM 0 H GLU A 107 -9.026 13.215 5.759 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.849 10.650 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.366 9.459 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.525 10.934 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.115 11.557 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.393 10.635 7.421 1.00 0.00 H new ATOM 1671 N GLN A 108 -11.220 12.255 5.442 1.00 0.00 N ATOM 1672 CA GLN A 108 -12.570 12.347 5.579 1.00 0.00 C ATOM 1673 C GLN A 108 -13.104 12.574 4.254 1.00 0.00 C ATOM 1674 O GLN A 108 -14.255 12.942 4.045 1.00 0.00 O ATOM 1675 CB GLN A 108 -12.903 13.402 6.540 1.00 0.00 C ATOM 1676 CG GLN A 108 -14.026 12.956 7.420 1.00 0.00 C ATOM 1677 CD GLN A 108 -13.550 11.919 8.464 1.00 0.00 C ATOM 1678 OE1 GLN A 108 -14.289 11.009 8.860 1.00 0.00 O ATOM 1679 NE2 GLN A 108 -12.323 12.065 8.940 1.00 0.00 N ATOM 0 H GLN A 108 -10.745 13.155 5.375 1.00 0.00 H new ATOM 0 HA GLN A 108 -13.015 11.438 5.984 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -12.029 13.643 7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -13.184 14.312 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -14.454 13.818 7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -14.818 12.522 6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -11.731 12.822 8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -11.970 11.420 9.647 1.00 0.00 H new ATOM 1688 N HIS A 109 -12.248 12.341 3.294 1.00 0.00 N ATOM 1689 CA HIS A 109 -12.718 12.293 1.992 1.00 0.00 C ATOM 1690 C HIS A 109 -12.363 11.005 1.407 1.00 0.00 C ATOM 1691 O HIS A 109 -13.002 10.513 0.496 1.00 0.00 O ATOM 1692 CB HIS A 109 -12.276 13.435 1.210 1.00 0.00 C ATOM 1693 CG HIS A 109 -12.520 14.822 1.823 1.00 0.00 C ATOM 1694 ND1 HIS A 109 -13.679 15.180 2.483 1.00 0.00 N ATOM 1695 CD2 HIS A 109 -11.698 15.895 1.929 1.00 0.00 C ATOM 1696 CE1 HIS A 109 -13.556 16.401 2.962 1.00 0.00 C ATOM 1697 NE2 HIS A 109 -12.362 16.860 2.646 1.00 0.00 N ATOM 0 H HIS A 109 -11.247 12.188 3.414 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.805 12.370 1.991 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.207 13.328 1.024 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.774 13.398 0.241 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -14.504 14.589 2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -10.701 15.976 1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -14.309 16.937 3.521 1.00 0.00 H new ATOM 1706 N VAL A 110 -11.407 10.415 1.990 1.00 0.00 N ATOM 1707 CA VAL A 110 -11.089 9.091 1.653 1.00 0.00 C ATOM 1708 C VAL A 110 -11.780 8.190 2.577 1.00 0.00 C ATOM 1709 O VAL A 110 -11.504 7.029 2.736 1.00 0.00 O ATOM 1710 CB VAL A 110 -9.692 8.822 1.575 1.00 0.00 C ATOM 1711 CG1 VAL A 110 -9.294 9.490 0.395 1.00 0.00 C ATOM 1712 CG2 VAL A 110 -8.971 9.369 2.713 1.00 0.00 C ATOM 0 H VAL A 110 -10.821 10.831 2.714 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.440 8.917 0.636 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.483 7.752 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.225 9.346 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -9.843 9.085 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.507 10.555 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.910 9.142 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.109 10.450 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.353 8.926 3.633 1.00 0.00 H new ATOM 1722 N GLU A 111 -12.618 8.835 3.188 1.00 0.00 N ATOM 1723 CA GLU A 111 -13.653 8.406 3.979 1.00 0.00 C ATOM 1724 C GLU A 111 -14.609 7.672 3.128 1.00 0.00 C ATOM 1725 O GLU A 111 -15.106 6.636 3.480 1.00 0.00 O ATOM 1726 CB GLU A 111 -14.247 9.643 4.603 1.00 0.00 C ATOM 1727 CG GLU A 111 -15.505 9.407 5.325 1.00 0.00 C ATOM 1728 CD GLU A 111 -16.711 9.773 4.461 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -17.295 8.881 3.824 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -17.004 10.980 4.320 1.00 0.00 O ATOM 0 H GLU A 111 -12.601 9.854 3.145 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.345 7.724 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.521 10.074 5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.422 10.382 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.568 8.359 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.518 9.996 6.242 1.00 0.00 H new ATOM 1737 N HIS A 112 -14.770 8.177 1.953 1.00 0.00 N ATOM 1738 CA HIS A 112 -15.632 7.573 0.986 1.00 0.00 C ATOM 1739 C HIS A 112 -14.971 6.421 0.337 1.00 0.00 C ATOM 1740 O HIS A 112 -15.593 5.605 -0.303 1.00 0.00 O ATOM 1741 CB HIS A 112 -16.052 8.584 0.003 1.00 0.00 C ATOM 1742 CG HIS A 112 -16.832 9.712 0.632 1.00 0.00 C ATOM 1743 ND1 HIS A 112 -18.198 9.713 0.775 1.00 0.00 N ATOM 1744 CD2 HIS A 112 -16.394 10.819 1.249 1.00 0.00 C ATOM 1745 CE1 HIS A 112 -18.556 10.779 1.470 1.00 0.00 C ATOM 1746 NE2 HIS A 112 -17.477 11.465 1.779 1.00 0.00 N ATOM 0 H HIS A 112 -14.306 9.026 1.631 1.00 0.00 H new ATOM 0 HA HIS A 112 -16.521 7.189 1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -15.171 8.989 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -16.662 8.108 -0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -15.366 11.144 1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -19.568 11.043 1.740 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -17.452 12.329 2.320 1.00 0.00 H new ATOM 1755 N ALA A 113 -13.743 6.368 0.520 1.00 0.00 N ATOM 1756 CA ALA A 113 -12.957 5.352 0.083 1.00 0.00 C ATOM 1757 C ALA A 113 -12.895 4.313 1.137 1.00 0.00 C ATOM 1758 O ALA A 113 -12.834 3.129 0.885 1.00 0.00 O ATOM 1759 CB ALA A 113 -11.671 5.915 -0.155 1.00 0.00 C ATOM 0 H ALA A 113 -13.227 7.093 1.019 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.341 4.888 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.994 5.138 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -11.751 6.699 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -11.283 6.339 0.771 1.00 0.00 H new ATOM 1765 N ARG A 114 -12.987 4.802 2.316 1.00 0.00 N ATOM 1766 CA ARG A 114 -13.007 4.042 3.482 1.00 0.00 C ATOM 1767 C ARG A 114 -14.373 3.351 3.550 1.00 0.00 C ATOM 1768 O ARG A 114 -14.579 2.430 4.324 1.00 0.00 O ATOM 1769 CB ARG A 114 -12.824 4.985 4.697 1.00 0.00 C ATOM 1770 CG ARG A 114 -12.579 4.314 6.051 1.00 0.00 C ATOM 1771 CD ARG A 114 -12.311 5.355 7.157 1.00 0.00 C ATOM 1772 NE ARG A 114 -13.426 6.323 7.328 1.00 0.00 N ATOM 1773 CZ ARG A 114 -13.342 7.531 7.969 1.00 0.00 C ATOM 1774 NH1 ARG A 114 -12.175 7.984 8.447 1.00 0.00 N ATOM 1775 NH2 ARG A 114 -14.437 8.291 8.106 1.00 0.00 N ATOM 0 H ARG A 114 -13.054 5.805 2.490 1.00 0.00 H new ATOM 0 HA ARG A 114 -12.208 3.301 3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.986 5.650 4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -13.714 5.609 4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -13.445 3.710 6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.729 3.636 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.139 4.838 8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -11.397 5.900 6.921 1.00 0.00 H new ATOM 0 HE ARG A 114 -14.331 6.066 6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -11.328 7.427 8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -12.134 8.886 8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.331 7.970 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.377 9.191 8.583 1.00 0.00 H new ATOM 1789 N LYS A 115 -15.306 3.807 2.687 1.00 0.00 N ATOM 1790 CA LYS A 115 -16.588 3.358 2.707 1.00 0.00 C ATOM 1791 C LYS A 115 -16.801 2.631 1.402 1.00 0.00 C ATOM 1792 O LYS A 115 -17.737 1.893 1.268 1.00 0.00 O ATOM 1793 CB LYS A 115 -17.508 4.585 2.902 1.00 0.00 C ATOM 1794 CG LYS A 115 -17.993 5.237 1.643 1.00 0.00 C ATOM 1795 CD LYS A 115 -19.270 4.633 1.138 1.00 0.00 C ATOM 1796 CE LYS A 115 -19.345 4.828 -0.333 1.00 0.00 C ATOM 1797 NZ LYS A 115 -20.558 4.201 -0.909 1.00 0.00 N ATOM 0 H LYS A 115 -15.120 4.509 1.971 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.811 2.666 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.374 4.278 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -16.972 5.329 3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.145 6.301 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.225 5.151 0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.306 3.571 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.126 5.100 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.345 5.894 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -18.458 4.402 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -20.326 3.780 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -20.904 3.460 -0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.296 4.923 -1.034 1.00 0.00 H new ATOM 1811 N GLN A 116 -15.917 2.855 0.392 1.00 0.00 N ATOM 1812 CA GLN A 116 -16.049 2.083 -0.817 1.00 0.00 C ATOM 1813 C GLN A 116 -15.785 0.578 -0.613 1.00 0.00 C ATOM 1814 O GLN A 116 -16.119 -0.257 -1.421 1.00 0.00 O ATOM 1815 CB GLN A 116 -15.399 2.712 -2.049 1.00 0.00 C ATOM 1816 CG GLN A 116 -13.931 2.885 -1.900 1.00 0.00 C ATOM 1817 CD GLN A 116 -13.103 1.755 -2.504 1.00 0.00 C ATOM 1818 OE1 GLN A 116 -12.662 1.861 -3.627 1.00 0.00 O ATOM 1819 NE2 GLN A 116 -13.021 0.632 -1.850 1.00 0.00 N ATOM 0 H GLN A 116 -15.154 3.531 0.409 1.00 0.00 H new ATOM 0 HA GLN A 116 -17.108 2.127 -1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -15.600 2.087 -2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.857 3.682 -2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.638 3.825 -2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -13.692 2.969 -0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.399 0.563 -0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.579 -0.179 -2.283 1.00 0.00 H new ATOM 1828 N LEU A 117 -15.127 0.274 0.445 1.00 0.00 N ATOM 1829 CA LEU A 117 -14.962 -0.965 0.902 1.00 0.00 C ATOM 1830 C LEU A 117 -15.944 -1.380 1.879 1.00 0.00 C ATOM 1831 O LEU A 117 -16.011 -2.488 2.167 1.00 0.00 O ATOM 1832 CB LEU A 117 -13.599 -1.117 1.222 1.00 0.00 C ATOM 1833 CG LEU A 117 -13.041 -2.227 0.408 1.00 0.00 C ATOM 1834 CD1 LEU A 117 -13.002 -3.474 1.178 1.00 0.00 C ATOM 1835 CD2 LEU A 117 -13.768 -2.440 -0.996 1.00 0.00 C ATOM 0 H LEU A 117 -14.672 0.977 1.027 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.189 -1.703 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -13.058 -0.192 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -13.482 -1.331 2.284 1.00 0.00 H new ATOM 0 HG LEU A 117 -12.022 -1.927 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -12.589 -4.271 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -12.376 -3.338 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -14.012 -3.742 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.299 -3.269 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.822 -2.665 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.680 -1.532 -1.593 1.00 0.00 H new ATOM 1847 N GLU A 118 -16.853 -0.482 2.227 1.00 0.00 N ATOM 1848 CA GLU A 118 -18.029 -0.807 2.969 1.00 0.00 C ATOM 1849 C GLU A 118 -19.116 -1.099 1.981 1.00 0.00 C ATOM 1850 O GLU A 118 -20.247 -1.332 2.313 1.00 0.00 O ATOM 1851 CB GLU A 118 -18.475 0.247 4.002 1.00 0.00 C ATOM 1852 CG GLU A 118 -17.662 0.277 5.290 1.00 0.00 C ATOM 1853 CD GLU A 118 -17.782 -1.008 6.127 1.00 0.00 C ATOM 1854 OE1 GLU A 118 -18.206 -2.066 5.598 1.00 0.00 O ATOM 1855 OE2 GLU A 118 -17.295 -1.027 7.284 1.00 0.00 O ATOM 0 H GLU A 118 -16.779 0.507 1.990 1.00 0.00 H new ATOM 0 HA GLU A 118 -17.797 -1.675 3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -18.426 1.232 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -19.520 0.066 4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -16.613 0.443 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -17.985 1.125 5.894 1.00 0.00 H new ATOM 1862 N GLU A 119 -18.714 -1.098 0.746 1.00 0.00 N ATOM 1863 CA GLU A 119 -19.550 -1.481 -0.305 1.00 0.00 C ATOM 1864 C GLU A 119 -19.312 -2.932 -0.420 1.00 0.00 C ATOM 1865 O GLU A 119 -20.202 -3.742 -0.651 1.00 0.00 O ATOM 1866 CB GLU A 119 -19.113 -0.835 -1.592 1.00 0.00 C ATOM 1867 CG GLU A 119 -19.008 0.630 -1.497 1.00 0.00 C ATOM 1868 CD GLU A 119 -20.282 1.396 -1.383 1.00 0.00 C ATOM 1869 OE1 GLU A 119 -20.753 1.927 -2.404 1.00 0.00 O ATOM 1870 OE2 GLU A 119 -20.731 1.664 -0.258 1.00 0.00 O ATOM 0 H GLU A 119 -17.776 -0.823 0.456 1.00 0.00 H new ATOM 0 HA GLU A 119 -20.589 -1.204 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.147 -1.244 -1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -19.822 -1.092 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.391 0.869 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.475 0.989 -2.378 1.00 0.00 H new ATOM 1877 N ALA A 120 -18.032 -3.272 -0.250 1.00 0.00 N ATOM 1878 CA ALA A 120 -17.641 -4.564 -0.327 1.00 0.00 C ATOM 1879 C ALA A 120 -17.777 -5.341 0.968 1.00 0.00 C ATOM 1880 O ALA A 120 -18.417 -6.312 1.002 1.00 0.00 O ATOM 1881 CB ALA A 120 -16.341 -4.568 -0.957 1.00 0.00 C ATOM 0 H ALA A 120 -17.281 -2.609 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 120 -18.324 -5.141 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -15.981 -5.593 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -16.417 -4.126 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -15.643 -3.987 -0.354 1.00 0.00 H new ATOM 1887 N LYS A 121 -17.231 -4.848 1.980 1.00 0.00 N ATOM 1888 CA LYS A 121 -17.219 -5.379 3.324 1.00 0.00 C ATOM 1889 C LYS A 121 -18.495 -5.706 3.831 1.00 0.00 C ATOM 1890 O LYS A 121 -18.743 -6.811 4.179 1.00 0.00 O ATOM 1891 CB LYS A 121 -16.548 -4.403 4.174 1.00 0.00 C ATOM 1892 CG LYS A 121 -15.148 -4.563 4.165 1.00 0.00 C ATOM 1893 CD LYS A 121 -14.383 -3.377 4.661 1.00 0.00 C ATOM 1894 CE LYS A 121 -15.140 -2.464 5.582 1.00 0.00 C ATOM 1895 NZ LYS A 121 -15.569 -3.031 6.890 1.00 0.00 N ATOM 0 H LYS A 121 -16.717 -3.969 1.920 1.00 0.00 H new ATOM 0 HA LYS A 121 -16.685 -6.329 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -16.799 -3.397 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -16.916 -4.499 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -14.890 -5.427 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -14.827 -4.786 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -13.492 -3.731 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -14.044 -2.799 3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -14.519 -1.590 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -16.028 -2.113 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -16.377 -2.488 7.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -15.849 -4.025 6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -14.781 -2.977 7.567 1.00 0.00 H new ATOM 1909 N ALA A 122 -19.250 -4.767 3.892 1.00 0.00 N ATOM 1910 CA ALA A 122 -20.585 -4.833 4.264 1.00 0.00 C ATOM 1911 C ALA A 122 -21.426 -5.770 3.389 1.00 0.00 C ATOM 1912 O ALA A 122 -22.550 -6.098 3.735 1.00 0.00 O ATOM 1913 CB ALA A 122 -21.101 -3.507 4.190 1.00 0.00 C ATOM 0 H ALA A 122 -18.952 -3.818 3.666 1.00 0.00 H new ATOM 0 HA ALA A 122 -20.643 -5.248 5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -22.153 -3.510 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -20.543 -2.861 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -21.002 -3.135 3.170 1.00 0.00 H new ATOM 1919 N ARG A 123 -20.873 -6.201 2.254 1.00 0.00 N ATOM 1920 CA ARG A 123 -21.554 -7.081 1.390 1.00 0.00 C ATOM 1921 C ARG A 123 -21.170 -8.464 1.767 1.00 0.00 C ATOM 1922 O ARG A 123 -21.903 -9.430 1.604 1.00 0.00 O ATOM 1923 CB ARG A 123 -21.153 -6.808 -0.061 1.00 0.00 C ATOM 1924 CG ARG A 123 -20.443 -7.982 -0.721 1.00 0.00 C ATOM 1925 CD ARG A 123 -19.572 -7.590 -1.862 1.00 0.00 C ATOM 1926 NE ARG A 123 -18.913 -8.782 -2.439 1.00 0.00 N ATOM 1927 CZ ARG A 123 -17.599 -9.086 -2.309 1.00 0.00 C ATOM 1928 NH1 ARG A 123 -16.738 -8.202 -1.829 1.00 0.00 N ATOM 1929 NH2 ARG A 123 -17.137 -10.271 -2.683 1.00 0.00 N ATOM 0 H ARG A 123 -19.942 -5.933 1.936 1.00 0.00 H new ATOM 0 HA ARG A 123 -22.632 -6.943 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -22.045 -6.562 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -20.502 -5.934 -0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -19.838 -8.496 0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -21.189 -8.695 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -20.166 -7.089 -2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -18.819 -6.877 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 123 -19.493 -9.426 -2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -17.061 -7.275 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -15.752 -8.448 -1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -17.773 -10.966 -3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -16.146 -10.488 -2.580 1.00 0.00 H new ATOM 1943 N VAL A 124 -20.004 -8.504 2.277 1.00 0.00 N ATOM 1944 CA VAL A 124 -19.307 -9.718 2.515 1.00 0.00 C ATOM 1945 C VAL A 124 -19.698 -10.213 3.797 1.00 0.00 C ATOM 1946 O VAL A 124 -20.222 -11.305 3.948 1.00 0.00 O ATOM 1947 CB VAL A 124 -17.825 -9.479 2.499 1.00 0.00 C ATOM 1948 CG1 VAL A 124 -17.086 -10.689 2.849 1.00 0.00 C ATOM 1949 CG2 VAL A 124 -17.379 -8.961 1.214 1.00 0.00 C ATOM 0 H VAL A 124 -19.484 -7.670 2.552 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.548 -10.441 1.736 1.00 0.00 H new ATOM 0 HB VAL A 124 -17.616 -8.723 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -16.016 -10.481 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.373 -11.014 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -17.317 -11.477 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -16.301 -8.801 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -17.620 -9.678 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -17.882 -8.016 1.008 1.00 0.00 H new ATOM 1959 N GLN A 125 -19.465 -9.302 4.646 1.00 0.00 N ATOM 1960 CA GLN A 125 -19.753 -9.137 5.997 1.00 0.00 C ATOM 1961 C GLN A 125 -19.842 -10.349 6.932 1.00 0.00 C ATOM 1962 O GLN A 125 -19.384 -10.298 8.065 1.00 0.00 O ATOM 1963 CB GLN A 125 -20.898 -8.291 5.897 1.00 0.00 C ATOM 1964 CG GLN A 125 -22.237 -8.881 5.452 1.00 0.00 C ATOM 1965 CD GLN A 125 -23.037 -9.572 6.547 1.00 0.00 C ATOM 1966 OE1 GLN A 125 -23.787 -10.494 6.292 1.00 0.00 O ATOM 1967 NE2 GLN A 125 -22.893 -9.118 7.770 1.00 0.00 N ATOM 0 H GLN A 125 -18.955 -8.480 4.324 1.00 0.00 H new ATOM 0 HA GLN A 125 -18.910 -8.729 6.554 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -21.052 -7.834 6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -20.650 -7.487 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -22.845 -8.082 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -22.052 -9.598 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -22.256 -8.343 7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -23.418 -9.540 8.536 1.00 0.00 H new ATOM 1976 N ALA A 126 -20.399 -11.365 6.452 1.00 0.00 N ATOM 1977 CA ALA A 126 -20.611 -12.519 7.074 1.00 0.00 C ATOM 1978 C ALA A 126 -19.458 -13.490 6.827 1.00 0.00 C ATOM 1979 O ALA A 126 -18.600 -13.702 7.678 1.00 0.00 O ATOM 1980 CB ALA A 126 -21.903 -13.030 6.570 1.00 0.00 C ATOM 0 H ALA A 126 -20.749 -11.377 5.494 1.00 0.00 H new ATOM 0 HA ALA A 126 -20.656 -12.394 8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -22.130 -13.982 7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -22.692 -12.313 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -21.842 -13.173 5.491 1.00 0.00 H new ATOM 1986 N GLN A 127 -19.425 -14.051 5.638 1.00 0.00 N ATOM 1987 CA GLN A 127 -18.490 -14.904 5.222 1.00 0.00 C ATOM 1988 C GLN A 127 -17.497 -14.220 4.315 1.00 0.00 C ATOM 1989 O GLN A 127 -17.852 -13.745 3.261 1.00 0.00 O ATOM 1990 CB GLN A 127 -19.240 -15.945 4.483 1.00 0.00 C ATOM 1991 CG GLN A 127 -19.350 -17.240 5.201 1.00 0.00 C ATOM 1992 CD GLN A 127 -18.004 -17.927 5.435 1.00 0.00 C ATOM 1993 OE1 GLN A 127 -17.813 -18.601 6.419 1.00 0.00 O ATOM 1994 NE2 GLN A 127 -17.090 -17.810 4.491 1.00 0.00 N ATOM 0 H GLN A 127 -20.135 -13.866 4.930 1.00 0.00 H new ATOM 0 HA GLN A 127 -17.912 -15.314 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -20.243 -15.573 4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -18.753 -16.115 3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -19.835 -17.073 6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -19.995 -17.908 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -17.276 -17.235 3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -16.197 -18.295 4.582 1.00 0.00 H new ATOM 2003 N ARG A 128 -16.247 -14.199 4.750 1.00 0.00 N ATOM 2004 CA ARG A 128 -15.119 -13.659 4.027 1.00 0.00 C ATOM 2005 C ARG A 128 -14.867 -14.224 2.633 1.00 0.00 C ATOM 2006 O ARG A 128 -13.974 -13.761 1.933 1.00 0.00 O ATOM 2007 CB ARG A 128 -13.865 -13.772 4.812 1.00 0.00 C ATOM 2008 CG ARG A 128 -13.606 -12.606 5.761 1.00 0.00 C ATOM 2009 CD ARG A 128 -13.258 -11.332 5.039 1.00 0.00 C ATOM 2010 NE ARG A 128 -11.912 -11.344 4.386 1.00 0.00 N ATOM 2011 CZ ARG A 128 -11.636 -10.849 3.151 1.00 0.00 C ATOM 2012 NH1 ARG A 128 -12.606 -10.766 2.229 1.00 0.00 N ATOM 2013 NH2 ARG A 128 -10.371 -10.526 2.822 1.00 0.00 N ATOM 0 H ARG A 128 -15.985 -14.577 5.660 1.00 0.00 H new ATOM 0 HA ARG A 128 -15.410 -12.619 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -13.895 -14.695 5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -13.025 -13.856 4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -14.491 -12.440 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -12.793 -12.868 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -14.016 -11.140 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -13.298 -10.504 5.747 1.00 0.00 H new ATOM 0 HE ARG A 128 -11.140 -11.757 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -13.552 -11.075 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -12.398 -10.394 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -9.619 -10.653 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -10.164 -10.154 1.895 1.00 0.00 H new ATOM 2027 N ALA A 129 -15.577 -15.254 2.326 1.00 0.00 N ATOM 2028 CA ALA A 129 -15.572 -15.940 1.066 1.00 0.00 C ATOM 2029 C ALA A 129 -15.498 -15.048 -0.160 1.00 0.00 C ATOM 2030 O ALA A 129 -16.472 -14.421 -0.568 1.00 0.00 O ATOM 2031 CB ALA A 129 -16.707 -16.876 0.961 1.00 0.00 C ATOM 0 H ALA A 129 -16.225 -15.674 2.992 1.00 0.00 H new ATOM 0 HA ALA A 129 -14.635 -16.498 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -16.675 -17.380 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -16.643 -17.616 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -17.643 -16.325 1.052 1.00 0.00 H new ATOM 2037 N GLU A 130 -14.316 -15.050 -0.712 1.00 0.00 N ATOM 2038 CA GLU A 130 -13.858 -14.300 -1.867 1.00 0.00 C ATOM 2039 C GLU A 130 -12.358 -14.429 -1.868 1.00 0.00 C ATOM 2040 O GLU A 130 -11.757 -14.852 -2.840 1.00 0.00 O ATOM 2041 CB GLU A 130 -14.284 -12.793 -1.921 1.00 0.00 C ATOM 2042 CG GLU A 130 -14.072 -11.999 -0.638 1.00 0.00 C ATOM 2043 CD GLU A 130 -13.870 -10.532 -0.867 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -12.837 -10.015 -0.403 1.00 0.00 O ATOM 2045 OE2 GLU A 130 -14.711 -9.889 -1.524 1.00 0.00 O ATOM 0 H GLU A 130 -13.570 -15.632 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 130 -14.334 -14.719 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -13.729 -12.306 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -15.340 -12.742 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -14.934 -12.141 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -13.205 -12.399 -0.112 1.00 0.00 H new ATOM 2052 N GLN A 131 -11.774 -14.134 -0.723 1.00 0.00 N ATOM 2053 CA GLN A 131 -10.366 -14.311 -0.518 1.00 0.00 C ATOM 2054 C GLN A 131 -10.263 -15.537 0.348 1.00 0.00 C ATOM 2055 O GLN A 131 -10.211 -15.446 1.571 1.00 0.00 O ATOM 2056 CB GLN A 131 -9.723 -13.113 0.213 1.00 0.00 C ATOM 2057 CG GLN A 131 -10.142 -11.732 -0.288 1.00 0.00 C ATOM 2058 CD GLN A 131 -9.920 -11.491 -1.765 1.00 0.00 C ATOM 2059 OE1 GLN A 131 -9.007 -12.031 -2.376 1.00 0.00 O ATOM 2060 NE2 GLN A 131 -10.763 -10.673 -2.339 1.00 0.00 N ATOM 0 H GLN A 131 -12.271 -13.765 0.087 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.844 -14.400 -1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -9.966 -13.184 1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -8.640 -13.197 0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -11.200 -11.588 -0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -9.593 -10.977 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -11.510 -10.244 -1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -10.674 -10.464 -3.333 1.00 0.00 H new ATOM 2069 N GLN A 132 -10.372 -16.670 -0.275 1.00 0.00 N ATOM 2070 CA GLN A 132 -10.429 -17.914 0.407 1.00 0.00 C ATOM 2071 C GLN A 132 -9.628 -18.974 -0.275 1.00 0.00 C ATOM 2072 O GLN A 132 -9.139 -18.786 -1.392 1.00 0.00 O ATOM 2073 CB GLN A 132 -11.869 -18.392 0.554 1.00 0.00 C ATOM 2074 CG GLN A 132 -12.627 -17.808 1.727 1.00 0.00 C ATOM 2075 CD GLN A 132 -12.075 -18.215 3.091 1.00 0.00 C ATOM 2076 OE1 GLN A 132 -12.182 -17.455 4.048 1.00 0.00 O ATOM 2077 NE2 GLN A 132 -11.534 -19.419 3.214 1.00 0.00 N ATOM 0 H GLN A 132 -10.424 -16.751 -1.290 1.00 0.00 H new ATOM 0 HA GLN A 132 -9.997 -17.741 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -12.409 -18.153 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -11.866 -19.478 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -12.612 -16.721 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -13.670 -18.118 1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -11.458 -20.030 2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -11.194 -19.735 4.122 1.00 0.00 H new ATOM 2086 N ALA A 133 -9.532 -20.061 0.405 1.00 0.00 N ATOM 2087 CA ALA A 133 -8.897 -21.246 0.026 1.00 0.00 C ATOM 2088 C ALA A 133 -9.600 -22.241 0.882 1.00 0.00 C ATOM 2089 O ALA A 133 -9.658 -23.414 0.541 1.00 0.00 O ATOM 2090 CB ALA A 133 -7.416 -21.199 0.359 1.00 0.00 C ATOM 2091 OXT ALA A 133 -10.220 -21.744 1.893 1.00 0.00 O ATOM 0 H ALA A 133 -9.944 -20.136 1.335 1.00 0.00 H new ATOM 0 HA ALA A 133 -8.946 -21.458 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -6.945 -22.133 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -6.950 -20.368 -0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -7.289 -21.062 1.433 1.00 0.00 H new TER 2097 ALA A 133