USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 966 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 87 SER OG : rot 180:sc= 0.0636 USER MOD Set 1.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot -12:sc= 0.9 USER MOD Set 3.1: A 4 THR OG1 : rot 26:sc= 0.148 USER MOD Set 3.2: A 41 ASN : amide:sc= -0.375 X(o=-0.23,f=-0.26) USER MOD Set 4.1: A 35 LYS NZ :NH3+ -168:sc= -0.658 (180deg=-0.934) USER MOD Set 4.2: A 37 MET CE :methyl 142:sc= -2.16 (180deg=-4.17!) USER MOD Single : A 1 SER N :NH3+ -168:sc= -0.0334 (180deg=-0.208) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -99:sc= 0.0241 USER MOD Single : A 6 ASN : amide:sc= -0.215 K(o=-0.21,f=-2.9!) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 0.574 (180deg=0.464) USER MOD Single : A 10 THR OG1 : rot 30:sc= -0.952! USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -2.24 (180deg=-3.24!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 152:sc= -0.168 (180deg=-0.312) USER MOD Single : A 23 MET CE :methyl -162:sc= -0.111 (180deg=-0.562) USER MOD Single : A 28 TYR OH : rot 60:sc= -0.14 USER MOD Single : A 32 THR OG1 : rot -61:sc= 1.02 USER MOD Single : A 39 MET CE :methyl 163:sc= -0.127 (180deg=-0.588) USER MOD Single : A 40 THR OG1 : rot 23:sc= 0.298 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.721 USER MOD Single : A 58 SER OG : rot 73:sc= 1.23 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 67 GLN : amide:sc= -0.84 K(o=-0.84,f=-0.011) USER MOD Single : A 69 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.095) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.11 (180deg=-0.501) USER MOD Single : A 71 ASN : amide:sc= -0.302 K(o=-0.3,f=-4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 76:sc= -0.297! USER MOD Single : A 80 ASN : amide:sc= -2.17! K(o=-2.2!,f=-1.2) USER MOD Single : A 82 ASN : amide:sc= -1.52! K(o=-1.5!,f=-0.28) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 177:sc= -0.796 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.214 (180deg=-1.08) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.882 K(o=-0.88,f=-3.2!) USER MOD Single : A 97 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 99 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.38) USER MOD Single : A 100 CYS SG : rot 170:sc= -0.609 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= -0.779 USER MOD Single : A 107 LYS NZ :NH3+ -160:sc= -2.84! (180deg=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.268 -13.253 1.126 1.00 3.78 N ATOM 2 CA SER A 1 -17.994 -12.213 2.150 1.00 3.53 C ATOM 3 C SER A 1 -16.619 -11.589 1.935 1.00 3.37 C ATOM 4 O SER A 1 -16.418 -10.402 2.191 1.00 3.89 O ATOM 5 CB SER A 1 -18.075 -12.820 3.552 1.00 3.95 C ATOM 6 OG SER A 1 -17.130 -13.864 3.712 1.00 4.64 O ATOM 0 H1 SER A 1 -19.273 -13.519 1.162 1.00 3.78 H new ATOM 0 H2 SER A 1 -18.042 -12.879 0.182 1.00 3.78 H new ATOM 0 H3 SER A 1 -17.681 -14.090 1.316 1.00 3.78 H new ATOM 0 HA SER A 1 -18.748 -11.432 2.053 1.00 3.53 H new ATOM 0 HB2 SER A 1 -17.896 -12.046 4.298 1.00 3.95 H new ATOM 0 HB3 SER A 1 -19.080 -13.205 3.727 1.00 3.95 H new ATOM 0 HG SER A 1 -17.201 -14.234 4.617 1.00 4.64 H new ATOM 14 N SER A 2 -15.675 -12.398 1.464 1.00 3.06 N ATOM 15 CA SER A 2 -14.318 -11.926 1.212 1.00 3.04 C ATOM 16 C SER A 2 -14.262 -11.084 -0.058 1.00 1.91 C ATOM 17 O SER A 2 -14.845 -11.446 -1.080 1.00 2.39 O ATOM 18 CB SER A 2 -13.359 -13.113 1.094 1.00 4.03 C ATOM 19 OG SER A 2 -13.736 -13.968 0.029 1.00 4.82 O ATOM 0 H SER A 2 -15.825 -13.384 1.249 1.00 3.06 H new ATOM 0 HA SER A 2 -14.014 -11.302 2.053 1.00 3.04 H new ATOM 0 HB2 SER A 2 -12.344 -12.750 0.932 1.00 4.03 H new ATOM 0 HB3 SER A 2 -13.351 -13.673 2.029 1.00 4.03 H new ATOM 0 HG SER A 2 -13.107 -14.718 -0.027 1.00 4.82 H new ATOM 25 N THR A 3 -13.556 -9.959 0.013 1.00 1.12 N ATOM 26 CA THR A 3 -13.425 -9.065 -1.132 1.00 0.81 C ATOM 27 C THR A 3 -12.022 -9.127 -1.725 1.00 0.72 C ATOM 28 O THR A 3 -11.703 -8.398 -2.663 1.00 0.87 O ATOM 29 CB THR A 3 -13.738 -7.607 -0.745 1.00 2.03 C ATOM 30 OG1 THR A 3 -12.817 -7.156 0.255 1.00 2.79 O ATOM 31 CG2 THR A 3 -15.162 -7.480 -0.226 1.00 2.21 C ATOM 0 H THR A 3 -13.066 -9.645 0.851 1.00 1.12 H new ATOM 0 HA THR A 3 -14.147 -9.402 -1.876 1.00 0.81 H new ATOM 0 HB THR A 3 -13.636 -6.987 -1.636 1.00 2.03 H new ATOM 0 HG1 THR A 3 -13.022 -6.228 0.494 1.00 2.79 H new ATOM 0 HG21 THR A 3 -15.361 -6.442 0.041 1.00 2.21 H new ATOM 0 HG22 THR A 3 -15.861 -7.796 -1.001 1.00 2.21 H new ATOM 0 HG23 THR A 3 -15.286 -8.111 0.654 1.00 2.21 H new ATOM 39 N THR A 4 -11.187 -10.003 -1.174 1.00 0.63 N ATOM 40 CA THR A 4 -9.819 -10.152 -1.653 1.00 0.58 C ATOM 41 C THR A 4 -9.731 -11.176 -2.778 1.00 0.56 C ATOM 42 O THR A 4 -10.183 -12.312 -2.638 1.00 0.75 O ATOM 43 CB THR A 4 -8.863 -10.578 -0.521 1.00 0.73 C ATOM 44 OG1 THR A 4 -9.331 -11.789 0.084 1.00 0.93 O ATOM 45 CG2 THR A 4 -8.754 -9.486 0.534 1.00 0.89 C ATOM 0 H THR A 4 -11.434 -10.618 -0.398 1.00 0.63 H new ATOM 0 HA THR A 4 -9.517 -9.174 -2.028 1.00 0.58 H new ATOM 0 HB THR A 4 -7.875 -10.745 -0.951 1.00 0.73 H new ATOM 0 HG1 THR A 4 -9.869 -12.291 -0.563 1.00 0.93 H new ATOM 0 HG21 THR A 4 -8.074 -9.809 1.323 1.00 0.89 H new ATOM 0 HG22 THR A 4 -8.371 -8.574 0.076 1.00 0.89 H new ATOM 0 HG23 THR A 4 -9.738 -9.292 0.960 1.00 0.89 H new ATOM 53 N THR A 5 -9.146 -10.760 -3.895 1.00 0.47 N ATOM 54 CA THR A 5 -8.973 -11.635 -5.046 1.00 0.52 C ATOM 55 C THR A 5 -8.183 -12.877 -4.655 1.00 0.69 C ATOM 56 O THR A 5 -7.349 -12.829 -3.750 1.00 1.62 O ATOM 57 CB THR A 5 -8.230 -10.906 -6.186 1.00 0.43 C ATOM 58 OG1 THR A 5 -8.930 -9.708 -6.539 1.00 0.49 O ATOM 59 CG2 THR A 5 -8.088 -11.794 -7.415 1.00 0.50 C ATOM 0 H THR A 5 -8.782 -9.816 -4.027 1.00 0.47 H new ATOM 0 HA THR A 5 -9.965 -11.925 -5.393 1.00 0.52 H new ATOM 0 HB THR A 5 -7.231 -10.657 -5.827 1.00 0.43 H new ATOM 0 HG1 THR A 5 -9.478 -9.872 -7.335 1.00 0.49 H new ATOM 0 HG21 THR A 5 -7.560 -11.250 -8.198 1.00 0.50 H new ATOM 0 HG22 THR A 5 -7.525 -12.690 -7.153 1.00 0.50 H new ATOM 0 HG23 THR A 5 -9.077 -12.079 -7.774 1.00 0.50 H new ATOM 67 N ASN A 6 -8.447 -13.988 -5.333 1.00 0.63 N ATOM 68 CA ASN A 6 -7.740 -15.230 -5.054 1.00 0.68 C ATOM 69 C ASN A 6 -6.260 -15.087 -5.394 1.00 0.57 C ATOM 70 O ASN A 6 -5.476 -16.020 -5.219 1.00 0.62 O ATOM 71 CB ASN A 6 -8.353 -16.385 -5.848 1.00 0.82 C ATOM 72 CG ASN A 6 -9.774 -16.695 -5.418 1.00 1.42 C ATOM 73 OD1 ASN A 6 -10.509 -15.809 -4.981 1.00 2.05 O ATOM 74 ND2 ASN A 6 -10.169 -17.957 -5.539 1.00 2.12 N ATOM 0 H ASN A 6 -9.142 -14.053 -6.076 1.00 0.63 H new ATOM 0 HA ASN A 6 -7.836 -15.448 -3.990 1.00 0.68 H new ATOM 0 HB2 ASN A 6 -8.344 -16.137 -6.909 1.00 0.82 H new ATOM 0 HB3 ASN A 6 -7.737 -17.275 -5.723 1.00 0.82 H new ATOM 0 HD21 ASN A 6 -11.115 -18.224 -5.265 1.00 2.12 H new ATOM 0 HD22 ASN A 6 -9.527 -18.659 -5.906 1.00 2.12 H new ATOM 81 N GLU A 7 -5.890 -13.906 -5.883 1.00 0.47 N ATOM 82 CA GLU A 7 -4.511 -13.620 -6.253 1.00 0.40 C ATOM 83 C GLU A 7 -3.760 -12.935 -5.118 1.00 0.42 C ATOM 84 O GLU A 7 -4.009 -11.768 -4.813 1.00 0.50 O ATOM 85 CB GLU A 7 -4.471 -12.731 -7.494 1.00 0.37 C ATOM 86 CG GLU A 7 -3.806 -13.387 -8.685 1.00 0.42 C ATOM 87 CD GLU A 7 -3.981 -12.597 -9.967 1.00 0.94 C ATOM 88 OE1 GLU A 7 -4.979 -12.836 -10.680 1.00 0.85 O ATOM 89 OE2 GLU A 7 -3.120 -11.741 -10.259 1.00 1.65 O ATOM 0 H GLU A 7 -6.533 -13.128 -6.032 1.00 0.47 H new ATOM 0 HA GLU A 7 -4.024 -14.572 -6.465 1.00 0.40 H new ATOM 0 HB2 GLU A 7 -5.489 -12.452 -7.764 1.00 0.37 H new ATOM 0 HB3 GLU A 7 -3.941 -11.809 -7.254 1.00 0.37 H new ATOM 0 HG2 GLU A 7 -2.742 -13.507 -8.480 1.00 0.42 H new ATOM 0 HG3 GLU A 7 -4.219 -14.386 -8.821 1.00 0.42 H new ATOM 96 N LYS A 8 -2.844 -13.665 -4.495 1.00 0.40 N ATOM 97 CA LYS A 8 -2.040 -13.117 -3.411 1.00 0.44 C ATOM 98 C LYS A 8 -1.011 -12.151 -3.978 1.00 0.41 C ATOM 99 O LYS A 8 -0.913 -11.002 -3.551 1.00 0.45 O ATOM 100 CB LYS A 8 -1.349 -14.254 -2.633 1.00 0.55 C ATOM 101 CG LYS A 8 0.130 -14.021 -2.311 1.00 0.60 C ATOM 102 CD LYS A 8 0.323 -12.930 -1.270 1.00 0.58 C ATOM 103 CE LYS A 8 1.791 -12.621 -1.041 1.00 0.70 C ATOM 104 NZ LYS A 8 1.987 -11.688 0.102 1.00 1.44 N ATOM 0 H LYS A 8 -2.639 -14.638 -4.722 1.00 0.40 H new ATOM 0 HA LYS A 8 -2.687 -12.576 -2.720 1.00 0.44 H new ATOM 0 HB2 LYS A 8 -1.887 -14.412 -1.698 1.00 0.55 H new ATOM 0 HB3 LYS A 8 -1.438 -15.174 -3.211 1.00 0.55 H new ATOM 0 HG2 LYS A 8 0.573 -14.949 -1.949 1.00 0.60 H new ATOM 0 HG3 LYS A 8 0.661 -13.749 -3.223 1.00 0.60 H new ATOM 0 HD2 LYS A 8 -0.193 -12.025 -1.592 1.00 0.58 H new ATOM 0 HD3 LYS A 8 -0.134 -13.240 -0.330 1.00 0.58 H new ATOM 0 HE2 LYS A 8 2.332 -13.548 -0.851 1.00 0.70 H new ATOM 0 HE3 LYS A 8 2.216 -12.183 -1.944 1.00 0.70 H new ATOM 0 HZ1 LYS A 8 2.958 -11.315 0.083 1.00 1.44 H new ATOM 0 HZ2 LYS A 8 1.312 -10.900 0.027 1.00 1.44 H new ATOM 0 HZ3 LYS A 8 1.828 -12.196 0.996 1.00 1.44 H new ATOM 118 N ILE A 9 -0.266 -12.635 -4.960 1.00 0.42 N ATOM 119 CA ILE A 9 0.783 -11.858 -5.602 1.00 0.43 C ATOM 120 C ILE A 9 0.234 -10.884 -6.641 1.00 0.36 C ATOM 121 O ILE A 9 -0.970 -10.642 -6.712 1.00 0.32 O ATOM 122 CB ILE A 9 1.801 -12.791 -6.289 1.00 0.49 C ATOM 123 CG1 ILE A 9 1.242 -13.348 -7.613 1.00 0.53 C ATOM 124 CG2 ILE A 9 2.182 -13.923 -5.351 1.00 0.62 C ATOM 125 CD1 ILE A 9 -0.188 -13.855 -7.528 1.00 0.51 C ATOM 0 H ILE A 9 -0.372 -13.578 -5.334 1.00 0.42 H new ATOM 0 HA ILE A 9 1.267 -11.282 -4.814 1.00 0.43 H new ATOM 0 HB ILE A 9 2.693 -12.211 -6.525 1.00 0.49 H new ATOM 0 HG12 ILE A 9 1.293 -12.567 -8.372 1.00 0.53 H new ATOM 0 HG13 ILE A 9 1.884 -14.162 -7.950 1.00 0.53 H new ATOM 0 HG21 ILE A 9 2.901 -14.577 -5.844 1.00 0.62 H new ATOM 0 HG22 ILE A 9 2.627 -13.511 -4.445 1.00 0.62 H new ATOM 0 HG23 ILE A 9 1.291 -14.494 -5.090 1.00 0.62 H new ATOM 0 HD11 ILE A 9 -0.500 -14.228 -8.503 1.00 0.51 H new ATOM 0 HD12 ILE A 9 -0.246 -14.660 -6.796 1.00 0.51 H new ATOM 0 HD13 ILE A 9 -0.845 -13.040 -7.224 1.00 0.51 H new ATOM 137 N THR A 10 1.139 -10.341 -7.454 1.00 0.38 N ATOM 138 CA THR A 10 0.773 -9.394 -8.500 1.00 0.36 C ATOM 139 C THR A 10 1.827 -9.342 -9.603 1.00 0.42 C ATOM 140 O THR A 10 1.564 -8.844 -10.686 1.00 0.57 O ATOM 141 CB THR A 10 0.554 -7.985 -7.932 1.00 0.37 C ATOM 142 OG1 THR A 10 1.013 -7.002 -8.853 1.00 0.34 O ATOM 143 CG2 THR A 10 1.276 -7.816 -6.612 1.00 0.39 C ATOM 0 H THR A 10 2.137 -10.544 -7.405 1.00 0.38 H new ATOM 0 HA THR A 10 -0.164 -9.749 -8.928 1.00 0.36 H new ATOM 0 HB THR A 10 -0.515 -7.854 -7.767 1.00 0.37 H new ATOM 0 HG1 THR A 10 0.921 -7.342 -9.767 1.00 0.34 H new ATOM 0 HG21 THR A 10 1.105 -6.809 -6.230 1.00 0.39 H new ATOM 0 HG22 THR A 10 0.899 -8.545 -5.895 1.00 0.39 H new ATOM 0 HG23 THR A 10 2.345 -7.972 -6.759 1.00 0.39 H new ATOM 151 N LYS A 11 3.012 -9.886 -9.343 1.00 0.43 N ATOM 152 CA LYS A 11 4.071 -9.892 -10.352 1.00 0.52 C ATOM 153 C LYS A 11 3.557 -10.630 -11.580 1.00 0.54 C ATOM 154 O LYS A 11 3.990 -10.400 -12.708 1.00 0.65 O ATOM 155 CB LYS A 11 5.314 -10.597 -9.801 1.00 0.61 C ATOM 156 CG LYS A 11 6.627 -10.145 -10.423 1.00 0.71 C ATOM 157 CD LYS A 11 6.766 -10.624 -11.859 1.00 1.08 C ATOM 158 CE LYS A 11 6.657 -12.138 -11.974 1.00 0.69 C ATOM 159 NZ LYS A 11 7.661 -12.696 -12.921 1.00 1.09 N ATOM 0 H LYS A 11 3.263 -10.323 -8.456 1.00 0.43 H new ATOM 0 HA LYS A 11 4.343 -8.870 -10.616 1.00 0.52 H new ATOM 0 HB2 LYS A 11 5.362 -10.433 -8.725 1.00 0.61 H new ATOM 0 HB3 LYS A 11 5.205 -11.671 -9.955 1.00 0.61 H new ATOM 0 HG2 LYS A 11 6.687 -9.057 -10.395 1.00 0.71 H new ATOM 0 HG3 LYS A 11 7.460 -10.525 -9.831 1.00 0.71 H new ATOM 0 HD2 LYS A 11 5.994 -10.158 -12.472 1.00 1.08 H new ATOM 0 HD3 LYS A 11 7.728 -10.300 -12.257 1.00 1.08 H new ATOM 0 HE2 LYS A 11 6.796 -12.588 -10.991 1.00 0.69 H new ATOM 0 HE3 LYS A 11 5.655 -12.406 -12.308 1.00 0.69 H new ATOM 0 HZ1 LYS A 11 7.340 -13.625 -13.260 1.00 1.09 H new ATOM 0 HZ2 LYS A 11 7.771 -12.052 -13.730 1.00 1.09 H new ATOM 0 HZ3 LYS A 11 8.575 -12.802 -12.436 1.00 1.09 H new ATOM 173 N LEU A 12 2.594 -11.498 -11.327 1.00 0.56 N ATOM 174 CA LEU A 12 1.961 -12.304 -12.354 1.00 0.72 C ATOM 175 C LEU A 12 1.341 -11.448 -13.465 1.00 0.94 C ATOM 176 O LEU A 12 1.281 -11.881 -14.616 1.00 1.09 O ATOM 177 CB LEU A 12 0.893 -13.200 -11.718 1.00 0.85 C ATOM 178 CG LEU A 12 0.820 -14.633 -12.261 1.00 1.76 C ATOM 179 CD1 LEU A 12 0.554 -14.636 -13.760 1.00 2.45 C ATOM 180 CD2 LEU A 12 2.103 -15.389 -11.946 1.00 2.34 C ATOM 0 H LEU A 12 2.225 -11.665 -10.391 1.00 0.56 H new ATOM 0 HA LEU A 12 2.733 -12.918 -12.817 1.00 0.72 H new ATOM 0 HB2 LEU A 12 1.076 -13.246 -10.644 1.00 0.85 H new ATOM 0 HB3 LEU A 12 -0.080 -12.729 -11.856 1.00 0.85 H new ATOM 0 HG LEU A 12 -0.011 -15.139 -11.769 1.00 1.76 H new ATOM 0 HD11 LEU A 12 0.507 -15.664 -14.119 1.00 2.45 H new ATOM 0 HD12 LEU A 12 -0.394 -14.137 -13.962 1.00 2.45 H new ATOM 0 HD13 LEU A 12 1.358 -14.109 -14.273 1.00 2.45 H new ATOM 0 HD21 LEU A 12 2.033 -16.403 -12.339 1.00 2.34 H new ATOM 0 HD22 LEU A 12 2.949 -14.879 -12.407 1.00 2.34 H new ATOM 0 HD23 LEU A 12 2.247 -15.427 -10.866 1.00 2.34 H new ATOM 192 N TYR A 13 0.877 -10.236 -13.127 1.00 1.02 N ATOM 193 CA TYR A 13 0.222 -9.380 -14.119 1.00 1.30 C ATOM 194 C TYR A 13 1.059 -9.202 -15.394 1.00 1.42 C ATOM 195 O TYR A 13 0.549 -8.739 -16.415 1.00 1.64 O ATOM 196 CB TYR A 13 -0.245 -8.036 -13.522 1.00 1.46 C ATOM 197 CG TYR A 13 0.820 -7.154 -12.920 1.00 0.79 C ATOM 198 CD1 TYR A 13 2.026 -6.934 -13.573 1.00 1.62 C ATOM 199 CD2 TYR A 13 0.634 -6.590 -11.687 1.00 0.84 C ATOM 200 CE1 TYR A 13 3.016 -6.162 -12.991 1.00 2.38 C ATOM 201 CE2 TYR A 13 1.612 -5.807 -11.097 1.00 1.86 C ATOM 202 CZ TYR A 13 2.757 -5.466 -11.870 1.00 2.53 C ATOM 203 OH TYR A 13 3.783 -4.829 -11.172 1.00 3.65 O ATOM 0 H TYR A 13 0.942 -9.835 -12.192 1.00 1.02 H new ATOM 0 HA TYR A 13 -0.681 -9.907 -14.425 1.00 1.30 H new ATOM 0 HB2 TYR A 13 -0.750 -7.472 -14.307 1.00 1.46 H new ATOM 0 HB3 TYR A 13 -0.988 -8.246 -12.752 1.00 1.46 H new ATOM 0 HD1 TYR A 13 2.193 -7.371 -14.547 1.00 1.62 H new ATOM 0 HD2 TYR A 13 -0.295 -6.759 -11.163 1.00 0.84 H new ATOM 0 HE1 TYR A 13 3.998 -6.118 -13.438 1.00 2.38 H new ATOM 0 HE2 TYR A 13 1.509 -5.465 -10.078 1.00 1.86 H new ATOM 0 HH TYR A 13 3.412 -4.374 -10.388 1.00 3.65 H new ATOM 213 N GLU A 14 2.337 -9.572 -15.335 1.00 1.33 N ATOM 214 CA GLU A 14 3.211 -9.519 -16.508 1.00 1.55 C ATOM 215 C GLU A 14 4.419 -10.425 -16.316 1.00 1.60 C ATOM 216 O GLU A 14 4.548 -11.091 -15.288 1.00 2.23 O ATOM 217 CB GLU A 14 3.668 -8.108 -16.839 1.00 1.72 C ATOM 218 CG GLU A 14 4.362 -7.424 -15.701 1.00 1.61 C ATOM 219 CD GLU A 14 5.702 -6.835 -16.091 1.00 1.85 C ATOM 220 OE1 GLU A 14 5.727 -5.681 -16.569 1.00 1.82 O ATOM 221 OE2 GLU A 14 6.727 -7.526 -15.917 1.00 2.53 O ATOM 0 H GLU A 14 2.792 -9.912 -14.488 1.00 1.33 H new ATOM 0 HA GLU A 14 2.619 -9.872 -17.352 1.00 1.55 H new ATOM 0 HB2 GLU A 14 4.341 -8.144 -17.696 1.00 1.72 H new ATOM 0 HB3 GLU A 14 2.803 -7.515 -17.137 1.00 1.72 H new ATOM 0 HG2 GLU A 14 3.721 -6.631 -15.316 1.00 1.61 H new ATOM 0 HG3 GLU A 14 4.508 -8.138 -14.890 1.00 1.61 H new ATOM 228 N LEU A 15 5.303 -10.451 -17.306 1.00 1.56 N ATOM 229 CA LEU A 15 6.496 -11.285 -17.235 1.00 1.66 C ATOM 230 C LEU A 15 7.616 -10.701 -18.089 1.00 1.98 C ATOM 231 O LEU A 15 8.737 -11.209 -18.093 1.00 2.56 O ATOM 232 CB LEU A 15 6.169 -12.708 -17.695 1.00 1.80 C ATOM 233 CG LEU A 15 7.098 -13.798 -17.154 1.00 1.98 C ATOM 234 CD1 LEU A 15 6.932 -13.944 -15.649 1.00 2.55 C ATOM 235 CD2 LEU A 15 6.824 -15.121 -17.853 1.00 1.86 C ATOM 0 H LEU A 15 5.217 -9.906 -18.164 1.00 1.56 H new ATOM 0 HA LEU A 15 6.835 -11.314 -16.199 1.00 1.66 H new ATOM 0 HB2 LEU A 15 5.147 -12.943 -17.397 1.00 1.80 H new ATOM 0 HB3 LEU A 15 6.198 -12.736 -18.784 1.00 1.80 H new ATOM 0 HG LEU A 15 8.128 -13.506 -17.357 1.00 1.98 H new ATOM 0 HD11 LEU A 15 7.600 -14.723 -15.283 1.00 2.55 H new ATOM 0 HD12 LEU A 15 7.176 -12.999 -15.163 1.00 2.55 H new ATOM 0 HD13 LEU A 15 5.901 -14.214 -15.421 1.00 2.55 H new ATOM 0 HD21 LEU A 15 7.492 -15.886 -17.458 1.00 1.86 H new ATOM 0 HD22 LEU A 15 5.790 -15.417 -17.679 1.00 1.86 H new ATOM 0 HD23 LEU A 15 6.994 -15.009 -18.924 1.00 1.86 H new ATOM 247 N GLY A 16 7.302 -9.630 -18.811 1.00 1.91 N ATOM 248 CA GLY A 16 8.291 -8.992 -19.662 1.00 2.22 C ATOM 249 C GLY A 16 8.256 -7.479 -19.563 1.00 1.97 C ATOM 250 O GLY A 16 7.232 -6.857 -19.845 1.00 2.27 O ATOM 0 H GLY A 16 6.381 -9.192 -18.822 1.00 1.91 H new ATOM 0 HA2 GLY A 16 9.284 -9.348 -19.388 1.00 2.22 H new ATOM 0 HA3 GLY A 16 8.120 -9.289 -20.697 1.00 2.22 H new ATOM 254 N GLY A 17 9.376 -6.890 -19.159 1.00 1.84 N ATOM 255 CA GLY A 17 9.452 -5.445 -19.031 1.00 1.71 C ATOM 256 C GLY A 17 9.071 -4.963 -17.645 1.00 1.63 C ATOM 257 O GLY A 17 8.536 -5.726 -16.840 1.00 2.45 O ATOM 0 H GLY A 17 10.233 -7.387 -18.918 1.00 1.84 H new ATOM 0 HA2 GLY A 17 10.466 -5.116 -19.260 1.00 1.71 H new ATOM 0 HA3 GLY A 17 8.793 -4.983 -19.766 1.00 1.71 H new ATOM 261 N GLU A 18 9.350 -3.692 -17.369 1.00 1.16 N ATOM 262 CA GLU A 18 9.036 -3.096 -16.073 1.00 0.97 C ATOM 263 C GLU A 18 9.628 -3.901 -14.925 1.00 0.88 C ATOM 264 O GLU A 18 8.931 -4.196 -13.961 1.00 0.81 O ATOM 265 CB GLU A 18 7.520 -2.968 -15.897 1.00 0.88 C ATOM 266 CG GLU A 18 6.869 -1.994 -16.866 1.00 1.36 C ATOM 267 CD GLU A 18 6.963 -2.450 -18.310 1.00 1.94 C ATOM 268 OE1 GLU A 18 6.114 -3.263 -18.733 1.00 2.24 O ATOM 269 OE2 GLU A 18 7.884 -1.992 -19.018 1.00 2.69 O ATOM 0 H GLU A 18 9.795 -3.053 -18.028 1.00 1.16 H new ATOM 0 HA GLU A 18 9.485 -2.103 -16.052 1.00 0.97 H new ATOM 0 HB2 GLU A 18 7.065 -3.950 -16.023 1.00 0.88 H new ATOM 0 HB3 GLU A 18 7.308 -2.647 -14.877 1.00 0.88 H new ATOM 0 HG2 GLU A 18 5.820 -1.868 -16.597 1.00 1.36 H new ATOM 0 HG3 GLU A 18 7.343 -1.018 -16.766 1.00 1.36 H new ATOM 276 N PRO A 19 10.929 -4.245 -14.996 1.00 0.92 N ATOM 277 CA PRO A 19 11.586 -5.009 -13.937 1.00 0.87 C ATOM 278 C PRO A 19 11.664 -4.212 -12.645 1.00 0.77 C ATOM 279 O PRO A 19 11.826 -4.776 -11.565 1.00 0.77 O ATOM 280 CB PRO A 19 12.987 -5.277 -14.493 1.00 0.98 C ATOM 281 CG PRO A 19 13.208 -4.192 -15.489 1.00 1.05 C ATOM 282 CD PRO A 19 11.863 -3.907 -16.088 1.00 1.05 C ATOM 0 HA PRO A 19 11.045 -5.922 -13.688 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.739 -5.250 -13.704 1.00 0.98 H new ATOM 0 HB3 PRO A 19 13.048 -6.261 -14.958 1.00 0.98 H new ATOM 0 HG2 PRO A 19 13.621 -3.302 -15.013 1.00 1.05 H new ATOM 0 HG3 PRO A 19 13.919 -4.503 -16.254 1.00 1.05 H new ATOM 0 HD2 PRO A 19 11.769 -2.864 -16.389 1.00 1.05 H new ATOM 0 HD3 PRO A 19 11.681 -4.513 -16.976 1.00 1.05 H new ATOM 290 N GLU A 20 11.549 -2.893 -12.767 1.00 0.72 N ATOM 291 CA GLU A 20 11.591 -2.015 -11.608 1.00 0.64 C ATOM 292 C GLU A 20 10.299 -2.139 -10.812 1.00 0.56 C ATOM 293 O GLU A 20 10.321 -2.440 -9.618 1.00 0.46 O ATOM 294 CB GLU A 20 11.807 -0.563 -12.042 1.00 0.65 C ATOM 295 CG GLU A 20 13.105 -0.341 -12.801 1.00 0.74 C ATOM 296 CD GLU A 20 13.252 1.085 -13.296 1.00 1.61 C ATOM 297 OE1 GLU A 20 13.734 1.936 -12.519 1.00 1.54 O ATOM 298 OE2 GLU A 20 12.886 1.350 -14.460 1.00 2.56 O ATOM 0 H GLU A 20 11.426 -2.411 -13.658 1.00 0.72 H new ATOM 0 HA GLU A 20 12.427 -2.314 -10.975 1.00 0.64 H new ATOM 0 HB2 GLU A 20 10.971 -0.252 -12.669 1.00 0.65 H new ATOM 0 HB3 GLU A 20 11.798 0.076 -11.159 1.00 0.65 H new ATOM 0 HG2 GLU A 20 13.947 -0.586 -12.154 1.00 0.74 H new ATOM 0 HG3 GLU A 20 13.147 -1.023 -13.650 1.00 0.74 H new ATOM 305 N ARG A 21 9.173 -1.914 -11.484 1.00 0.61 N ATOM 306 CA ARG A 21 7.872 -2.020 -10.833 1.00 0.55 C ATOM 307 C ARG A 21 7.592 -3.467 -10.463 1.00 0.49 C ATOM 308 O ARG A 21 6.954 -3.749 -9.450 1.00 0.40 O ATOM 309 CB ARG A 21 6.766 -1.479 -11.736 1.00 0.63 C ATOM 310 CG ARG A 21 6.689 0.039 -11.751 1.00 0.78 C ATOM 311 CD ARG A 21 7.785 0.648 -12.611 1.00 1.54 C ATOM 312 NE ARG A 21 7.626 2.092 -12.755 1.00 2.01 N ATOM 313 CZ ARG A 21 8.259 2.815 -13.673 1.00 2.86 C ATOM 314 NH1 ARG A 21 9.092 2.232 -14.524 1.00 3.36 N ATOM 315 NH2 ARG A 21 8.057 4.124 -13.742 1.00 3.57 N ATOM 0 H ARG A 21 9.135 -1.659 -12.471 1.00 0.61 H new ATOM 0 HA ARG A 21 7.891 -1.419 -9.924 1.00 0.55 H new ATOM 0 HB2 ARG A 21 6.929 -1.837 -12.752 1.00 0.63 H new ATOM 0 HB3 ARG A 21 5.808 -1.881 -11.406 1.00 0.63 H new ATOM 0 HG2 ARG A 21 5.715 0.350 -12.128 1.00 0.78 H new ATOM 0 HG3 ARG A 21 6.773 0.418 -10.732 1.00 0.78 H new ATOM 0 HD2 ARG A 21 8.757 0.432 -12.167 1.00 1.54 H new ATOM 0 HD3 ARG A 21 7.774 0.182 -13.596 1.00 1.54 H new ATOM 0 HE ARG A 21 6.994 2.573 -12.115 1.00 2.01 H new ATOM 0 HH11 ARG A 21 9.249 1.225 -14.475 1.00 3.36 H new ATOM 0 HH12 ARG A 21 9.576 2.790 -15.227 1.00 3.36 H new ATOM 0 HH21 ARG A 21 7.416 4.576 -13.090 1.00 3.57 H new ATOM 0 HH22 ARG A 21 8.543 4.679 -14.447 1.00 3.57 H new ATOM 329 N LYS A 22 8.078 -4.378 -11.296 1.00 0.56 N ATOM 330 CA LYS A 22 7.896 -5.802 -11.069 1.00 0.54 C ATOM 331 C LYS A 22 8.738 -6.263 -9.882 1.00 0.48 C ATOM 332 O LYS A 22 8.326 -7.135 -9.119 1.00 0.44 O ATOM 333 CB LYS A 22 8.238 -6.566 -12.350 1.00 0.68 C ATOM 334 CG LYS A 22 9.094 -7.801 -12.165 1.00 0.64 C ATOM 335 CD LYS A 22 9.557 -8.321 -13.511 1.00 0.72 C ATOM 336 CE LYS A 22 10.789 -9.195 -13.369 1.00 0.79 C ATOM 337 NZ LYS A 22 12.006 -8.393 -13.066 1.00 1.43 N ATOM 0 H LYS A 22 8.604 -4.152 -12.140 1.00 0.56 H new ATOM 0 HA LYS A 22 6.855 -6.008 -10.820 1.00 0.54 H new ATOM 0 HB2 LYS A 22 7.308 -6.860 -12.836 1.00 0.68 H new ATOM 0 HB3 LYS A 22 8.753 -5.887 -13.030 1.00 0.68 H new ATOM 0 HG2 LYS A 22 9.956 -7.565 -11.542 1.00 0.64 H new ATOM 0 HG3 LYS A 22 8.526 -8.572 -11.645 1.00 0.64 H new ATOM 0 HD2 LYS A 22 8.755 -8.892 -13.978 1.00 0.72 H new ATOM 0 HD3 LYS A 22 9.777 -7.482 -14.171 1.00 0.72 H new ATOM 0 HE2 LYS A 22 10.628 -9.924 -12.575 1.00 0.79 H new ATOM 0 HE3 LYS A 22 10.944 -9.756 -14.290 1.00 0.79 H new ATOM 0 HZ1 LYS A 22 12.680 -8.975 -12.528 1.00 1.43 H new ATOM 0 HZ2 LYS A 22 12.448 -8.084 -13.955 1.00 1.43 H new ATOM 0 HZ3 LYS A 22 11.741 -7.560 -12.503 1.00 1.43 H new ATOM 351 N MET A 23 9.925 -5.682 -9.729 1.00 0.50 N ATOM 352 CA MET A 23 10.784 -6.032 -8.606 1.00 0.48 C ATOM 353 C MET A 23 10.168 -5.515 -7.317 1.00 0.39 C ATOM 354 O MET A 23 10.113 -6.225 -6.317 1.00 0.38 O ATOM 355 CB MET A 23 12.193 -5.458 -8.775 1.00 0.54 C ATOM 356 CG MET A 23 13.096 -5.702 -7.574 1.00 0.56 C ATOM 357 SD MET A 23 14.739 -4.989 -7.783 1.00 1.25 S ATOM 358 CE MET A 23 15.346 -5.936 -9.177 1.00 1.23 C ATOM 0 H MET A 23 10.308 -4.977 -10.359 1.00 0.50 H new ATOM 0 HA MET A 23 10.869 -7.118 -8.569 1.00 0.48 H new ATOM 0 HB2 MET A 23 12.652 -5.898 -9.660 1.00 0.54 H new ATOM 0 HB3 MET A 23 12.121 -4.385 -8.953 1.00 0.54 H new ATOM 0 HG2 MET A 23 12.631 -5.279 -6.683 1.00 0.56 H new ATOM 0 HG3 MET A 23 13.189 -6.775 -7.406 1.00 0.56 H new ATOM 0 HE1 MET A 23 16.431 -5.852 -9.229 1.00 1.23 H new ATOM 0 HE2 MET A 23 15.069 -6.983 -9.054 1.00 1.23 H new ATOM 0 HE3 MET A 23 14.907 -5.550 -10.097 1.00 1.23 H new ATOM 368 N TRP A 24 9.706 -4.269 -7.353 1.00 0.37 N ATOM 369 CA TRP A 24 9.081 -3.657 -6.192 1.00 0.31 C ATOM 370 C TRP A 24 7.788 -4.382 -5.840 1.00 0.25 C ATOM 371 O TRP A 24 7.439 -4.506 -4.667 1.00 0.29 O ATOM 372 CB TRP A 24 8.806 -2.168 -6.440 1.00 0.34 C ATOM 373 CG TRP A 24 10.049 -1.339 -6.578 1.00 0.44 C ATOM 374 CD1 TRP A 24 11.196 -1.450 -5.846 1.00 1.02 C ATOM 375 CD2 TRP A 24 10.264 -0.260 -7.497 1.00 0.95 C ATOM 376 NE1 TRP A 24 12.113 -0.513 -6.257 1.00 1.14 N ATOM 377 CE2 TRP A 24 11.564 0.229 -7.269 1.00 1.01 C ATOM 378 CE3 TRP A 24 9.486 0.336 -8.494 1.00 1.77 C ATOM 379 CZ2 TRP A 24 12.101 1.287 -7.999 1.00 1.49 C ATOM 380 CZ3 TRP A 24 10.020 1.386 -9.218 1.00 2.34 C ATOM 381 CH2 TRP A 24 11.317 1.852 -8.968 1.00 2.12 C ATOM 0 H TRP A 24 9.754 -3.666 -8.174 1.00 0.37 H new ATOM 0 HA TRP A 24 9.770 -3.742 -5.352 1.00 0.31 H new ATOM 0 HB2 TRP A 24 8.208 -2.064 -7.346 1.00 0.34 H new ATOM 0 HB3 TRP A 24 8.208 -1.776 -5.617 1.00 0.34 H new ATOM 0 HD1 TRP A 24 11.359 -2.170 -5.058 1.00 1.02 H new ATOM 0 HE1 TRP A 24 13.049 -0.390 -5.872 1.00 1.14 H new ATOM 0 HE3 TRP A 24 8.486 -0.017 -8.695 1.00 1.77 H new ATOM 0 HZ2 TRP A 24 13.100 1.648 -7.807 1.00 1.49 H new ATOM 0 HZ3 TRP A 24 9.427 1.855 -9.989 1.00 2.34 H new ATOM 0 HH2 TRP A 24 11.706 2.673 -9.551 1.00 2.12 H new ATOM 392 N VAL A 25 7.081 -4.866 -6.860 1.00 0.21 N ATOM 393 CA VAL A 25 5.829 -5.578 -6.641 1.00 0.20 C ATOM 394 C VAL A 25 6.089 -6.925 -5.958 1.00 0.22 C ATOM 395 O VAL A 25 5.451 -7.259 -4.956 1.00 0.22 O ATOM 396 CB VAL A 25 5.037 -5.776 -7.968 1.00 0.25 C ATOM 397 CG1 VAL A 25 5.331 -7.121 -8.618 1.00 0.32 C ATOM 398 CG2 VAL A 25 3.545 -5.626 -7.724 1.00 0.30 C ATOM 0 H VAL A 25 7.354 -4.778 -7.839 1.00 0.21 H new ATOM 0 HA VAL A 25 5.213 -4.966 -5.983 1.00 0.20 H new ATOM 0 HB VAL A 25 5.368 -5.000 -8.659 1.00 0.25 H new ATOM 0 HG11 VAL A 25 4.756 -7.213 -9.540 1.00 0.32 H new ATOM 0 HG12 VAL A 25 6.395 -7.190 -8.845 1.00 0.32 H new ATOM 0 HG13 VAL A 25 5.053 -7.924 -7.935 1.00 0.32 H new ATOM 0 HG21 VAL A 25 3.007 -5.767 -8.661 1.00 0.30 H new ATOM 0 HG22 VAL A 25 3.218 -6.373 -7.001 1.00 0.30 H new ATOM 0 HG23 VAL A 25 3.339 -4.629 -7.334 1.00 0.30 H new ATOM 408 N ASP A 26 7.057 -7.681 -6.478 1.00 0.28 N ATOM 409 CA ASP A 26 7.386 -8.983 -5.911 1.00 0.35 C ATOM 410 C ASP A 26 8.002 -8.828 -4.526 1.00 0.35 C ATOM 411 O ASP A 26 7.739 -9.626 -3.623 1.00 0.38 O ATOM 412 CB ASP A 26 8.348 -9.738 -6.831 1.00 0.45 C ATOM 413 CG ASP A 26 8.719 -11.103 -6.286 1.00 0.53 C ATOM 414 OD1 ASP A 26 7.981 -12.072 -6.561 1.00 0.60 O ATOM 415 OD2 ASP A 26 9.748 -11.202 -5.583 1.00 0.58 O ATOM 0 H ASP A 26 7.621 -7.414 -7.285 1.00 0.28 H new ATOM 0 HA ASP A 26 6.464 -9.556 -5.818 1.00 0.35 H new ATOM 0 HB2 ASP A 26 7.890 -9.854 -7.813 1.00 0.45 H new ATOM 0 HB3 ASP A 26 9.253 -9.147 -6.969 1.00 0.45 H new ATOM 420 N ARG A 27 8.816 -7.791 -4.363 1.00 0.36 N ATOM 421 CA ARG A 27 9.470 -7.530 -3.091 1.00 0.42 C ATOM 422 C ARG A 27 8.447 -7.063 -2.061 1.00 0.34 C ATOM 423 O ARG A 27 8.567 -7.366 -0.874 1.00 0.35 O ATOM 424 CB ARG A 27 10.600 -6.503 -3.281 1.00 0.56 C ATOM 425 CG ARG A 27 10.392 -5.177 -2.568 1.00 0.99 C ATOM 426 CD ARG A 27 11.000 -5.206 -1.179 1.00 1.61 C ATOM 427 NE ARG A 27 10.689 -3.998 -0.419 1.00 2.45 N ATOM 428 CZ ARG A 27 11.267 -3.681 0.736 1.00 3.19 C ATOM 429 NH1 ARG A 27 12.190 -4.478 1.260 1.00 3.22 N ATOM 430 NH2 ARG A 27 10.925 -2.566 1.368 1.00 4.08 N ATOM 0 H ARG A 27 9.037 -7.119 -5.097 1.00 0.36 H new ATOM 0 HA ARG A 27 9.918 -8.451 -2.717 1.00 0.42 H new ATOM 0 HB2 ARG A 27 11.533 -6.944 -2.931 1.00 0.56 H new ATOM 0 HB3 ARG A 27 10.719 -6.310 -4.347 1.00 0.56 H new ATOM 0 HG2 ARG A 27 10.843 -4.373 -3.149 1.00 0.99 H new ATOM 0 HG3 ARG A 27 9.326 -4.961 -2.498 1.00 0.99 H new ATOM 0 HD2 ARG A 27 10.631 -6.078 -0.640 1.00 1.61 H new ATOM 0 HD3 ARG A 27 12.082 -5.315 -1.259 1.00 1.61 H new ATOM 0 HE ARG A 27 9.988 -3.360 -0.796 1.00 2.45 H new ATOM 0 HH11 ARG A 27 12.457 -5.336 0.777 1.00 3.22 H new ATOM 0 HH12 ARG A 27 12.632 -4.233 2.146 1.00 3.22 H new ATOM 0 HH21 ARG A 27 10.217 -1.950 0.968 1.00 4.08 H new ATOM 0 HH22 ARG A 27 11.370 -2.325 2.254 1.00 4.08 H new ATOM 444 N TYR A 28 7.436 -6.335 -2.526 1.00 0.31 N ATOM 445 CA TYR A 28 6.388 -5.842 -1.641 1.00 0.35 C ATOM 446 C TYR A 28 5.565 -7.008 -1.113 1.00 0.33 C ATOM 447 O TYR A 28 5.283 -7.096 0.083 1.00 0.38 O ATOM 448 CB TYR A 28 5.478 -4.864 -2.391 1.00 0.41 C ATOM 449 CG TYR A 28 4.691 -3.932 -1.494 1.00 0.72 C ATOM 450 CD1 TYR A 28 3.851 -4.423 -0.499 1.00 0.98 C ATOM 451 CD2 TYR A 28 4.788 -2.555 -1.646 1.00 1.47 C ATOM 452 CE1 TYR A 28 3.134 -3.568 0.316 1.00 1.22 C ATOM 453 CE2 TYR A 28 4.075 -1.695 -0.835 1.00 1.82 C ATOM 454 CZ TYR A 28 3.249 -2.205 0.144 1.00 1.48 C ATOM 455 OH TYR A 28 2.538 -1.350 0.953 1.00 1.87 O ATOM 0 H TYR A 28 7.321 -6.075 -3.506 1.00 0.31 H new ATOM 0 HA TYR A 28 6.852 -5.321 -0.804 1.00 0.35 H new ATOM 0 HB2 TYR A 28 6.087 -4.267 -3.070 1.00 0.41 H new ATOM 0 HB3 TYR A 28 4.780 -5.433 -3.005 1.00 0.41 H new ATOM 0 HD1 TYR A 28 3.758 -5.490 -0.362 1.00 0.98 H new ATOM 0 HD2 TYR A 28 5.433 -2.150 -2.412 1.00 1.47 H new ATOM 0 HE1 TYR A 28 2.487 -3.965 1.084 1.00 1.22 H new ATOM 0 HE2 TYR A 28 4.164 -0.627 -0.967 1.00 1.82 H new ATOM 0 HH TYR A 28 2.795 -1.495 1.888 1.00 1.87 H new ATOM 465 N LEU A 29 5.194 -7.916 -2.013 1.00 0.34 N ATOM 466 CA LEU A 29 4.405 -9.081 -1.631 1.00 0.45 C ATOM 467 C LEU A 29 5.182 -9.967 -0.666 1.00 0.41 C ATOM 468 O LEU A 29 4.661 -10.382 0.374 1.00 0.44 O ATOM 469 CB LEU A 29 3.995 -9.867 -2.878 1.00 0.59 C ATOM 470 CG LEU A 29 2.719 -9.369 -3.563 1.00 0.74 C ATOM 471 CD1 LEU A 29 1.499 -9.756 -2.749 1.00 0.97 C ATOM 472 CD2 LEU A 29 2.759 -7.860 -3.767 1.00 1.33 C ATOM 0 H LEU A 29 5.426 -7.867 -3.005 1.00 0.34 H new ATOM 0 HA LEU A 29 3.504 -8.740 -1.121 1.00 0.45 H new ATOM 0 HB2 LEU A 29 4.813 -9.832 -3.597 1.00 0.59 H new ATOM 0 HB3 LEU A 29 3.858 -10.912 -2.602 1.00 0.59 H new ATOM 0 HG LEU A 29 2.655 -9.842 -4.543 1.00 0.74 H new ATOM 0 HD11 LEU A 29 0.599 -9.396 -3.248 1.00 0.97 H new ATOM 0 HD12 LEU A 29 1.453 -10.841 -2.656 1.00 0.97 H new ATOM 0 HD13 LEU A 29 1.567 -9.310 -1.757 1.00 0.97 H new ATOM 0 HD21 LEU A 29 1.840 -7.534 -4.255 1.00 1.33 H new ATOM 0 HD22 LEU A 29 2.852 -7.365 -2.801 1.00 1.33 H new ATOM 0 HD23 LEU A 29 3.614 -7.600 -4.391 1.00 1.33 H new ATOM 484 N ALA A 30 6.435 -10.244 -1.002 1.00 0.41 N ATOM 485 CA ALA A 30 7.268 -11.062 -0.141 1.00 0.48 C ATOM 486 C ALA A 30 7.491 -10.342 1.178 1.00 0.38 C ATOM 487 O ALA A 30 7.666 -10.969 2.222 1.00 0.42 O ATOM 488 CB ALA A 30 8.592 -11.384 -0.817 1.00 0.63 C ATOM 0 H ALA A 30 6.890 -9.917 -1.855 1.00 0.41 H new ATOM 0 HA ALA A 30 6.761 -12.007 0.053 1.00 0.48 H new ATOM 0 HB1 ALA A 30 9.200 -11.998 -0.153 1.00 0.63 H new ATOM 0 HB2 ALA A 30 8.405 -11.927 -1.743 1.00 0.63 H new ATOM 0 HB3 ALA A 30 9.121 -10.458 -1.040 1.00 0.63 H new ATOM 494 N PHE A 31 7.504 -9.014 1.117 1.00 0.33 N ATOM 495 CA PHE A 31 7.679 -8.199 2.309 1.00 0.37 C ATOM 496 C PHE A 31 6.504 -8.401 3.260 1.00 0.34 C ATOM 497 O PHE A 31 6.695 -8.571 4.463 1.00 0.38 O ATOM 498 CB PHE A 31 7.807 -6.720 1.934 1.00 0.48 C ATOM 499 CG PHE A 31 8.092 -5.823 3.104 1.00 0.65 C ATOM 500 CD1 PHE A 31 9.348 -5.805 3.691 1.00 0.78 C ATOM 501 CD2 PHE A 31 7.104 -4.996 3.617 1.00 0.82 C ATOM 502 CE1 PHE A 31 9.612 -4.979 4.768 1.00 0.95 C ATOM 503 CE2 PHE A 31 7.363 -4.168 4.693 1.00 0.99 C ATOM 504 CZ PHE A 31 8.620 -4.160 5.268 1.00 1.02 C ATOM 0 H PHE A 31 7.395 -8.482 0.254 1.00 0.33 H new ATOM 0 HA PHE A 31 8.596 -8.509 2.810 1.00 0.37 H new ATOM 0 HB2 PHE A 31 8.604 -6.608 1.199 1.00 0.48 H new ATOM 0 HB3 PHE A 31 6.884 -6.395 1.454 1.00 0.48 H new ATOM 0 HD1 PHE A 31 10.128 -6.443 3.303 1.00 0.78 H new ATOM 0 HD2 PHE A 31 6.121 -4.999 3.170 1.00 0.82 H new ATOM 0 HE1 PHE A 31 10.594 -4.975 5.218 1.00 0.95 H new ATOM 0 HE2 PHE A 31 6.585 -3.529 5.084 1.00 0.99 H new ATOM 0 HZ PHE A 31 8.826 -3.513 6.108 1.00 1.02 H new ATOM 514 N THR A 32 5.285 -8.391 2.714 1.00 0.36 N ATOM 515 CA THR A 32 4.090 -8.581 3.535 1.00 0.46 C ATOM 516 C THR A 32 4.074 -9.972 4.149 1.00 0.43 C ATOM 517 O THR A 32 3.797 -10.132 5.337 1.00 0.48 O ATOM 518 CB THR A 32 2.790 -8.397 2.726 1.00 0.57 C ATOM 519 OG1 THR A 32 2.667 -9.432 1.745 1.00 0.56 O ATOM 520 CG2 THR A 32 2.755 -7.044 2.039 1.00 0.60 C ATOM 0 H THR A 32 5.102 -8.255 1.720 1.00 0.36 H new ATOM 0 HA THR A 32 4.131 -7.820 4.315 1.00 0.46 H new ATOM 0 HB THR A 32 1.955 -8.453 3.424 1.00 0.57 H new ATOM 0 HG1 THR A 32 3.426 -9.389 1.127 1.00 0.56 H new ATOM 0 HG21 THR A 32 1.826 -6.945 1.477 1.00 0.60 H new ATOM 0 HG22 THR A 32 2.812 -6.254 2.788 1.00 0.60 H new ATOM 0 HG23 THR A 32 3.602 -6.960 1.358 1.00 0.60 H new ATOM 528 N GLU A 33 4.388 -10.978 3.345 1.00 0.43 N ATOM 529 CA GLU A 33 4.398 -12.349 3.831 1.00 0.50 C ATOM 530 C GLU A 33 5.555 -12.575 4.803 1.00 0.45 C ATOM 531 O GLU A 33 5.470 -13.413 5.701 1.00 0.46 O ATOM 532 CB GLU A 33 4.442 -13.338 2.666 1.00 0.64 C ATOM 533 CG GLU A 33 5.738 -13.354 1.906 1.00 0.47 C ATOM 534 CD GLU A 33 6.788 -14.251 2.535 1.00 1.01 C ATOM 535 OE1 GLU A 33 6.555 -15.475 2.609 1.00 1.10 O ATOM 536 OE2 GLU A 33 7.842 -13.728 2.956 1.00 1.45 O ATOM 0 H GLU A 33 4.637 -10.872 2.362 1.00 0.43 H new ATOM 0 HA GLU A 33 3.472 -12.525 4.378 1.00 0.50 H new ATOM 0 HB2 GLU A 33 4.249 -14.340 3.050 1.00 0.64 H new ATOM 0 HB3 GLU A 33 3.634 -13.100 1.974 1.00 0.64 H new ATOM 0 HG2 GLU A 33 5.549 -13.687 0.885 1.00 0.47 H new ATOM 0 HG3 GLU A 33 6.128 -12.338 1.843 1.00 0.47 H new ATOM 543 N GLU A 34 6.636 -11.822 4.614 1.00 0.45 N ATOM 544 CA GLU A 34 7.814 -11.929 5.474 1.00 0.52 C ATOM 545 C GLU A 34 7.460 -11.668 6.937 1.00 0.49 C ATOM 546 O GLU A 34 7.934 -12.368 7.833 1.00 0.55 O ATOM 547 CB GLU A 34 8.881 -10.930 5.024 1.00 0.61 C ATOM 548 CG GLU A 34 10.142 -10.957 5.873 1.00 0.73 C ATOM 549 CD GLU A 34 11.166 -9.929 5.431 1.00 1.37 C ATOM 550 OE1 GLU A 34 11.949 -10.231 4.506 1.00 1.28 O ATOM 551 OE2 GLU A 34 11.184 -8.822 6.010 1.00 2.24 O ATOM 0 H GLU A 34 6.721 -11.129 3.871 1.00 0.45 H new ATOM 0 HA GLU A 34 8.199 -12.945 5.389 1.00 0.52 H new ATOM 0 HB2 GLU A 34 9.147 -11.139 3.988 1.00 0.61 H new ATOM 0 HB3 GLU A 34 8.459 -9.925 5.049 1.00 0.61 H new ATOM 0 HG2 GLU A 34 9.878 -10.776 6.915 1.00 0.73 H new ATOM 0 HG3 GLU A 34 10.587 -11.951 5.825 1.00 0.73 H new ATOM 558 N LYS A 35 6.627 -10.660 7.171 1.00 0.47 N ATOM 559 CA LYS A 35 6.213 -10.303 8.525 1.00 0.53 C ATOM 560 C LYS A 35 4.969 -11.078 8.926 1.00 0.45 C ATOM 561 O LYS A 35 4.358 -10.795 9.957 1.00 0.55 O ATOM 562 CB LYS A 35 5.937 -8.802 8.624 1.00 0.74 C ATOM 563 CG LYS A 35 7.040 -7.949 8.025 1.00 0.97 C ATOM 564 CD LYS A 35 6.506 -7.039 6.932 1.00 1.26 C ATOM 565 CE LYS A 35 5.925 -5.754 7.502 1.00 2.35 C ATOM 566 NZ LYS A 35 4.799 -6.013 8.440 1.00 3.30 N ATOM 0 H LYS A 35 6.224 -10.074 6.440 1.00 0.47 H new ATOM 0 HA LYS A 35 7.025 -10.561 9.205 1.00 0.53 H new ATOM 0 HB2 LYS A 35 4.998 -8.578 8.118 1.00 0.74 H new ATOM 0 HB3 LYS A 35 5.806 -8.532 9.672 1.00 0.74 H new ATOM 0 HG2 LYS A 35 7.502 -7.347 8.808 1.00 0.97 H new ATOM 0 HG3 LYS A 35 7.819 -8.593 7.616 1.00 0.97 H new ATOM 0 HD2 LYS A 35 7.309 -6.797 6.235 1.00 1.26 H new ATOM 0 HD3 LYS A 35 5.738 -7.565 6.364 1.00 1.26 H new ATOM 0 HE2 LYS A 35 6.709 -5.202 8.021 1.00 2.35 H new ATOM 0 HE3 LYS A 35 5.577 -5.121 6.686 1.00 2.35 H new ATOM 0 HZ1 LYS A 35 4.305 -5.121 8.645 1.00 3.30 H new ATOM 0 HZ2 LYS A 35 4.134 -6.685 8.007 1.00 3.30 H new ATOM 0 HZ3 LYS A 35 5.170 -6.414 9.325 1.00 3.30 H new ATOM 580 N ALA A 36 4.597 -12.050 8.099 1.00 0.43 N ATOM 581 CA ALA A 36 3.407 -12.851 8.345 1.00 0.63 C ATOM 582 C ALA A 36 2.173 -11.971 8.235 1.00 0.78 C ATOM 583 O ALA A 36 1.082 -12.346 8.663 1.00 0.99 O ATOM 584 CB ALA A 36 3.474 -13.527 9.709 1.00 0.74 C ATOM 0 H ALA A 36 5.105 -12.301 7.251 1.00 0.43 H new ATOM 0 HA ALA A 36 3.350 -13.639 7.594 1.00 0.63 H new ATOM 0 HB1 ALA A 36 2.572 -14.119 9.866 1.00 0.74 H new ATOM 0 HB2 ALA A 36 4.347 -14.178 9.750 1.00 0.74 H new ATOM 0 HB3 ALA A 36 3.551 -12.768 10.488 1.00 0.74 H new ATOM 590 N MET A 37 2.368 -10.791 7.648 1.00 0.79 N ATOM 591 CA MET A 37 1.291 -9.832 7.462 1.00 1.04 C ATOM 592 C MET A 37 0.134 -10.479 6.713 1.00 1.22 C ATOM 593 O MET A 37 -1.027 -10.115 6.900 1.00 1.43 O ATOM 594 CB MET A 37 1.794 -8.619 6.685 1.00 1.08 C ATOM 595 CG MET A 37 1.274 -7.298 7.216 1.00 1.38 C ATOM 596 SD MET A 37 1.254 -6.000 5.963 1.00 2.05 S ATOM 597 CE MET A 37 3.005 -5.782 5.665 1.00 1.97 C ATOM 0 H MET A 37 3.271 -10.479 7.292 1.00 0.79 H new ATOM 0 HA MET A 37 0.942 -9.507 8.442 1.00 1.04 H new ATOM 0 HB2 MET A 37 2.884 -8.608 6.712 1.00 1.08 H new ATOM 0 HB3 MET A 37 1.502 -8.721 5.640 1.00 1.08 H new ATOM 0 HG2 MET A 37 0.265 -7.439 7.603 1.00 1.38 H new ATOM 0 HG3 MET A 37 1.894 -6.979 8.053 1.00 1.38 H new ATOM 0 HE1 MET A 37 3.174 -5.603 4.603 1.00 1.97 H new ATOM 0 HE2 MET A 37 3.368 -4.930 6.239 1.00 1.97 H new ATOM 0 HE3 MET A 37 3.541 -6.681 5.971 1.00 1.97 H new ATOM 607 N GLY A 38 0.470 -11.445 5.865 1.00 1.22 N ATOM 608 CA GLY A 38 -0.537 -12.141 5.094 1.00 1.49 C ATOM 609 C GLY A 38 0.028 -12.773 3.837 1.00 1.30 C ATOM 610 O GLY A 38 -0.159 -12.249 2.738 1.00 1.95 O ATOM 0 H GLY A 38 1.427 -11.758 5.699 1.00 1.22 H new ATOM 0 HA2 GLY A 38 -0.993 -12.914 5.712 1.00 1.49 H new ATOM 0 HA3 GLY A 38 -1.328 -11.443 4.822 1.00 1.49 H new ATOM 614 N MET A 39 0.726 -13.898 3.997 1.00 1.05 N ATOM 615 CA MET A 39 1.305 -14.609 2.859 1.00 0.97 C ATOM 616 C MET A 39 0.220 -14.903 1.827 1.00 0.81 C ATOM 617 O MET A 39 0.508 -15.144 0.655 1.00 0.93 O ATOM 618 CB MET A 39 1.958 -15.913 3.326 1.00 1.47 C ATOM 619 CG MET A 39 2.628 -16.698 2.209 1.00 1.62 C ATOM 620 SD MET A 39 3.477 -18.172 2.807 1.00 2.14 S ATOM 621 CE MET A 39 2.122 -19.067 3.565 1.00 2.33 C ATOM 0 H MET A 39 0.903 -14.335 4.902 1.00 1.05 H new ATOM 0 HA MET A 39 2.070 -13.982 2.401 1.00 0.97 H new ATOM 0 HB2 MET A 39 2.699 -15.683 4.091 1.00 1.47 H new ATOM 0 HB3 MET A 39 1.200 -16.541 3.795 1.00 1.47 H new ATOM 0 HG2 MET A 39 1.877 -16.989 1.474 1.00 1.62 H new ATOM 0 HG3 MET A 39 3.343 -16.055 1.697 1.00 1.62 H new ATOM 0 HE1 MET A 39 2.409 -20.109 3.708 1.00 2.33 H new ATOM 0 HE2 MET A 39 1.885 -18.620 4.530 1.00 2.33 H new ATOM 0 HE3 MET A 39 1.246 -19.018 2.918 1.00 2.33 H new ATOM 631 N THR A 40 -1.031 -14.895 2.285 1.00 0.66 N ATOM 632 CA THR A 40 -2.176 -15.120 1.412 1.00 0.60 C ATOM 633 C THR A 40 -2.536 -13.811 0.719 1.00 0.51 C ATOM 634 O THR A 40 -1.719 -12.897 0.672 1.00 0.46 O ATOM 635 CB THR A 40 -3.392 -15.649 2.204 1.00 0.70 C ATOM 636 OG1 THR A 40 -4.437 -16.040 1.305 1.00 1.26 O ATOM 637 CG2 THR A 40 -3.915 -14.594 3.168 1.00 0.85 C ATOM 0 H THR A 40 -1.275 -14.734 3.262 1.00 0.66 H new ATOM 0 HA THR A 40 -1.908 -15.875 0.672 1.00 0.60 H new ATOM 0 HB THR A 40 -3.067 -16.516 2.780 1.00 0.70 H new ATOM 0 HG1 THR A 40 -4.054 -16.237 0.424 1.00 1.26 H new ATOM 0 HG21 THR A 40 -4.771 -14.992 3.713 1.00 0.85 H new ATOM 0 HG22 THR A 40 -3.129 -14.324 3.873 1.00 0.85 H new ATOM 0 HG23 THR A 40 -4.220 -13.709 2.609 1.00 0.85 H new ATOM 645 N ASN A 41 -3.762 -13.674 0.233 1.00 0.52 N ATOM 646 CA ASN A 41 -4.135 -12.444 -0.450 1.00 0.46 C ATOM 647 C ASN A 41 -4.748 -11.454 0.531 1.00 0.49 C ATOM 648 O ASN A 41 -5.672 -11.782 1.276 1.00 0.58 O ATOM 649 CB ASN A 41 -5.133 -12.733 -1.574 1.00 0.49 C ATOM 650 CG ASN A 41 -5.711 -14.132 -1.493 1.00 1.34 C ATOM 651 OD1 ASN A 41 -6.742 -14.355 -0.858 1.00 2.35 O ATOM 652 ND2 ASN A 41 -5.049 -15.085 -2.139 1.00 1.61 N ATOM 0 H ASN A 41 -4.497 -14.378 0.296 1.00 0.52 H new ATOM 0 HA ASN A 41 -3.232 -12.010 -0.879 1.00 0.46 H new ATOM 0 HB2 ASN A 41 -5.944 -12.006 -1.531 1.00 0.49 H new ATOM 0 HB3 ASN A 41 -4.638 -12.603 -2.537 1.00 0.49 H new ATOM 0 HD21 ASN A 41 -5.391 -16.046 -2.121 1.00 1.61 H new ATOM 0 HD22 ASN A 41 -4.198 -14.856 -2.653 1.00 1.61 H new ATOM 659 N LEU A 42 -4.215 -10.239 0.514 1.00 0.44 N ATOM 660 CA LEU A 42 -4.682 -9.171 1.386 1.00 0.52 C ATOM 661 C LEU A 42 -4.863 -7.871 0.598 1.00 0.49 C ATOM 662 O LEU A 42 -5.942 -7.278 0.617 1.00 0.60 O ATOM 663 CB LEU A 42 -3.719 -8.986 2.568 1.00 0.57 C ATOM 664 CG LEU A 42 -4.016 -7.799 3.486 1.00 1.60 C ATOM 665 CD1 LEU A 42 -3.544 -8.092 4.901 1.00 2.08 C ATOM 666 CD2 LEU A 42 -3.345 -6.540 2.955 1.00 2.15 C ATOM 0 H LEU A 42 -3.449 -9.968 -0.103 1.00 0.44 H new ATOM 0 HA LEU A 42 -5.656 -9.448 1.790 1.00 0.52 H new ATOM 0 HB2 LEU A 42 -3.729 -9.897 3.167 1.00 0.57 H new ATOM 0 HB3 LEU A 42 -2.708 -8.874 2.175 1.00 0.57 H new ATOM 0 HG LEU A 42 -5.094 -7.638 3.507 1.00 1.60 H new ATOM 0 HD11 LEU A 42 -3.763 -7.238 5.542 1.00 2.08 H new ATOM 0 HD12 LEU A 42 -4.061 -8.973 5.282 1.00 2.08 H new ATOM 0 HD13 LEU A 42 -2.470 -8.276 4.895 1.00 2.08 H new ATOM 0 HD21 LEU A 42 -3.565 -5.703 3.618 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -2.267 -6.694 2.910 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -3.722 -6.320 1.956 1.00 2.15 H new ATOM 678 N PRO A 43 -3.804 -7.400 -0.101 1.00 0.38 N ATOM 679 CA PRO A 43 -3.874 -6.175 -0.907 1.00 0.40 C ATOM 680 C PRO A 43 -4.688 -6.359 -2.184 1.00 0.37 C ATOM 681 O PRO A 43 -4.400 -5.737 -3.207 1.00 0.35 O ATOM 682 CB PRO A 43 -2.415 -5.892 -1.266 1.00 0.40 C ATOM 683 CG PRO A 43 -1.723 -7.207 -1.163 1.00 0.32 C ATOM 684 CD PRO A 43 -2.458 -8.008 -0.137 1.00 0.34 C ATOM 0 HA PRO A 43 -4.364 -5.370 -0.360 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -2.330 -5.481 -2.272 1.00 0.40 H new ATOM 0 HB3 PRO A 43 -1.977 -5.162 -0.585 1.00 0.40 H new ATOM 0 HG2 PRO A 43 -1.723 -7.719 -2.125 1.00 0.32 H new ATOM 0 HG3 PRO A 43 -0.681 -7.073 -0.874 1.00 0.32 H new ATOM 0 HD2 PRO A 43 -2.504 -9.062 -0.412 1.00 0.34 H new ATOM 0 HD3 PRO A 43 -1.970 -7.953 0.836 1.00 0.34 H new ATOM 692 N ALA A 44 -5.724 -7.187 -2.117 1.00 0.42 N ATOM 693 CA ALA A 44 -6.568 -7.445 -3.275 1.00 0.42 C ATOM 694 C ALA A 44 -7.923 -6.764 -3.105 1.00 0.47 C ATOM 695 O ALA A 44 -8.458 -6.696 -1.998 1.00 0.59 O ATOM 696 CB ALA A 44 -6.745 -8.942 -3.468 1.00 0.52 C ATOM 0 H ALA A 44 -5.999 -7.690 -1.273 1.00 0.42 H new ATOM 0 HA ALA A 44 -6.085 -7.034 -4.162 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -7.378 -9.125 -4.337 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -5.771 -9.406 -3.624 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -7.213 -9.370 -2.582 1.00 0.52 H new ATOM 702 N VAL A 45 -8.471 -6.259 -4.206 1.00 0.42 N ATOM 703 CA VAL A 45 -9.753 -5.567 -4.174 1.00 0.47 C ATOM 704 C VAL A 45 -10.854 -6.386 -4.841 1.00 0.53 C ATOM 705 O VAL A 45 -10.582 -7.224 -5.700 1.00 0.55 O ATOM 706 CB VAL A 45 -9.663 -4.179 -4.839 1.00 0.41 C ATOM 707 CG1 VAL A 45 -8.485 -3.398 -4.274 1.00 0.45 C ATOM 708 CG2 VAL A 45 -9.551 -4.299 -6.351 1.00 0.34 C ATOM 0 H VAL A 45 -8.046 -6.317 -5.132 1.00 0.42 H new ATOM 0 HA VAL A 45 -10.009 -5.435 -3.123 1.00 0.47 H new ATOM 0 HB VAL A 45 -10.582 -3.636 -4.616 1.00 0.41 H new ATOM 0 HG11 VAL A 45 -8.434 -2.420 -4.753 1.00 0.45 H new ATOM 0 HG12 VAL A 45 -8.615 -3.270 -3.199 1.00 0.45 H new ATOM 0 HG13 VAL A 45 -7.561 -3.944 -4.465 1.00 0.45 H new ATOM 0 HG21 VAL A 45 -9.489 -3.304 -6.791 1.00 0.34 H new ATOM 0 HG22 VAL A 45 -8.655 -4.865 -6.606 1.00 0.34 H new ATOM 0 HG23 VAL A 45 -10.429 -4.815 -6.741 1.00 0.34 H new ATOM 718 N GLY A 46 -12.092 -6.135 -4.410 1.00 0.64 N ATOM 719 CA GLY A 46 -13.259 -6.832 -4.935 1.00 0.75 C ATOM 720 C GLY A 46 -13.104 -7.330 -6.360 1.00 0.74 C ATOM 721 O GLY A 46 -13.421 -8.483 -6.654 1.00 0.92 O ATOM 0 H GLY A 46 -12.309 -5.445 -3.690 1.00 0.64 H new ATOM 0 HA2 GLY A 46 -13.481 -7.681 -4.289 1.00 0.75 H new ATOM 0 HA3 GLY A 46 -14.118 -6.163 -4.888 1.00 0.75 H new ATOM 725 N ARG A 47 -12.619 -6.470 -7.245 1.00 0.63 N ATOM 726 CA ARG A 47 -12.449 -6.842 -8.643 1.00 0.64 C ATOM 727 C ARG A 47 -11.045 -7.396 -8.907 1.00 0.67 C ATOM 728 O ARG A 47 -10.710 -8.483 -8.438 1.00 1.20 O ATOM 729 CB ARG A 47 -12.750 -5.639 -9.539 1.00 0.63 C ATOM 730 CG ARG A 47 -13.417 -6.018 -10.847 1.00 0.39 C ATOM 731 CD ARG A 47 -12.402 -6.286 -11.945 1.00 1.19 C ATOM 732 NE ARG A 47 -13.047 -6.651 -13.205 1.00 1.66 N ATOM 733 CZ ARG A 47 -12.844 -7.807 -13.833 1.00 2.40 C ATOM 734 NH1 ARG A 47 -12.027 -8.714 -13.314 1.00 3.06 N ATOM 735 NH2 ARG A 47 -13.463 -8.057 -14.978 1.00 2.81 N ATOM 0 H ARG A 47 -12.338 -5.515 -7.022 1.00 0.63 H new ATOM 0 HA ARG A 47 -13.155 -7.638 -8.879 1.00 0.64 H new ATOM 0 HB2 ARG A 47 -13.393 -4.944 -8.999 1.00 0.63 H new ATOM 0 HB3 ARG A 47 -11.820 -5.112 -9.753 1.00 0.63 H new ATOM 0 HG2 ARG A 47 -14.032 -6.905 -10.697 1.00 0.39 H new ATOM 0 HG3 ARG A 47 -14.086 -5.216 -11.159 1.00 0.39 H new ATOM 0 HD2 ARG A 47 -11.787 -5.399 -12.095 1.00 1.19 H new ATOM 0 HD3 ARG A 47 -11.733 -7.088 -11.633 1.00 1.19 H new ATOM 0 HE ARG A 47 -13.690 -5.981 -13.627 1.00 1.66 H new ATOM 0 HH11 ARG A 47 -11.552 -8.527 -12.431 1.00 3.06 H new ATOM 0 HH12 ARG A 47 -11.874 -9.599 -13.798 1.00 3.06 H new ATOM 0 HH21 ARG A 47 -14.095 -7.364 -15.378 1.00 2.81 H new ATOM 0 HH22 ARG A 47 -13.307 -8.943 -15.459 1.00 2.81 H new ATOM 749 N LYS A 48 -10.231 -6.655 -9.658 1.00 0.69 N ATOM 750 CA LYS A 48 -8.874 -7.091 -9.970 1.00 0.62 C ATOM 751 C LYS A 48 -8.066 -7.298 -8.690 1.00 0.51 C ATOM 752 O LYS A 48 -8.412 -6.753 -7.645 1.00 0.48 O ATOM 753 CB LYS A 48 -8.181 -6.065 -10.871 1.00 0.67 C ATOM 754 CG LYS A 48 -8.786 -5.961 -12.262 1.00 0.84 C ATOM 755 CD LYS A 48 -8.532 -7.218 -13.081 1.00 1.04 C ATOM 756 CE LYS A 48 -9.162 -7.121 -14.461 1.00 1.00 C ATOM 757 NZ LYS A 48 -8.862 -8.316 -15.295 1.00 1.56 N ATOM 0 H LYS A 48 -10.488 -5.753 -10.060 1.00 0.69 H new ATOM 0 HA LYS A 48 -8.933 -8.042 -10.499 1.00 0.62 H new ATOM 0 HB2 LYS A 48 -8.225 -5.087 -10.392 1.00 0.67 H new ATOM 0 HB3 LYS A 48 -7.127 -6.329 -10.962 1.00 0.67 H new ATOM 0 HG2 LYS A 48 -9.859 -5.791 -12.180 1.00 0.84 H new ATOM 0 HG3 LYS A 48 -8.365 -5.099 -12.779 1.00 0.84 H new ATOM 0 HD2 LYS A 48 -7.458 -7.378 -13.181 1.00 1.04 H new ATOM 0 HD3 LYS A 48 -8.936 -8.084 -12.556 1.00 1.04 H new ATOM 0 HE2 LYS A 48 -10.242 -7.011 -14.360 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -8.796 -6.226 -14.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -9.310 -8.210 -16.228 1.00 1.56 H new ATOM 0 HZ2 LYS A 48 -7.833 -8.407 -15.414 1.00 1.56 H new ATOM 0 HZ3 LYS A 48 -9.233 -9.168 -14.828 1.00 1.56 H new ATOM 771 N PRO A 49 -6.987 -8.104 -8.750 1.00 0.49 N ATOM 772 CA PRO A 49 -6.130 -8.377 -7.585 1.00 0.44 C ATOM 773 C PRO A 49 -5.644 -7.102 -6.886 1.00 0.43 C ATOM 774 O PRO A 49 -6.421 -6.428 -6.211 1.00 0.63 O ATOM 775 CB PRO A 49 -4.964 -9.163 -8.187 1.00 0.52 C ATOM 776 CG PRO A 49 -5.553 -9.827 -9.377 1.00 0.59 C ATOM 777 CD PRO A 49 -6.530 -8.840 -9.945 1.00 0.58 C ATOM 0 HA PRO A 49 -6.663 -8.917 -6.803 1.00 0.44 H new ATOM 0 HB2 PRO A 49 -4.140 -8.505 -8.464 1.00 0.52 H new ATOM 0 HB3 PRO A 49 -4.566 -9.891 -7.480 1.00 0.52 H new ATOM 0 HG2 PRO A 49 -4.783 -10.081 -10.106 1.00 0.59 H new ATOM 0 HG3 PRO A 49 -6.050 -10.757 -9.101 1.00 0.59 H new ATOM 0 HD2 PRO A 49 -6.059 -8.178 -10.672 1.00 0.58 H new ATOM 0 HD3 PRO A 49 -7.356 -9.336 -10.454 1.00 0.58 H new ATOM 785 N LEU A 50 -4.362 -6.772 -7.037 1.00 0.51 N ATOM 786 CA LEU A 50 -3.810 -5.576 -6.404 1.00 0.55 C ATOM 787 C LEU A 50 -3.716 -4.431 -7.402 1.00 0.67 C ATOM 788 O LEU A 50 -4.144 -3.312 -7.117 1.00 1.57 O ATOM 789 CB LEU A 50 -2.412 -5.834 -5.825 1.00 0.64 C ATOM 790 CG LEU A 50 -2.255 -7.040 -4.898 1.00 0.45 C ATOM 791 CD1 LEU A 50 -2.463 -8.347 -5.646 1.00 0.69 C ATOM 792 CD2 LEU A 50 -0.879 -7.008 -4.256 1.00 0.81 C ATOM 0 H LEU A 50 -3.692 -7.310 -7.587 1.00 0.51 H new ATOM 0 HA LEU A 50 -4.488 -5.309 -5.593 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -1.718 -5.954 -6.657 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -2.103 -4.944 -5.278 1.00 0.64 H new ATOM 0 HG LEU A 50 -3.019 -6.983 -4.123 1.00 0.45 H new ATOM 0 HD11 LEU A 50 -2.344 -9.183 -4.957 1.00 0.69 H new ATOM 0 HD12 LEU A 50 -3.466 -8.367 -6.071 1.00 0.69 H new ATOM 0 HD13 LEU A 50 -1.728 -8.429 -6.447 1.00 0.69 H new ATOM 0 HD21 LEU A 50 -0.766 -7.867 -3.595 1.00 0.81 H new ATOM 0 HD22 LEU A 50 -0.114 -7.044 -5.032 1.00 0.81 H new ATOM 0 HD23 LEU A 50 -0.768 -6.090 -3.680 1.00 0.81 H new ATOM 804 N ASP A 51 -3.146 -4.719 -8.572 1.00 0.50 N ATOM 805 CA ASP A 51 -2.976 -3.710 -9.612 1.00 0.46 C ATOM 806 C ASP A 51 -2.077 -2.591 -9.104 1.00 0.42 C ATOM 807 O ASP A 51 -2.350 -1.414 -9.325 1.00 0.41 O ATOM 808 CB ASP A 51 -4.336 -3.148 -10.036 1.00 0.45 C ATOM 809 CG ASP A 51 -5.305 -4.238 -10.446 1.00 0.49 C ATOM 810 OD1 ASP A 51 -5.752 -5.000 -9.564 1.00 0.63 O ATOM 811 OD2 ASP A 51 -5.617 -4.327 -11.651 1.00 0.53 O ATOM 0 H ASP A 51 -2.795 -5.644 -8.821 1.00 0.50 H new ATOM 0 HA ASP A 51 -2.508 -4.173 -10.481 1.00 0.46 H new ATOM 0 HB2 ASP A 51 -4.763 -2.576 -9.212 1.00 0.45 H new ATOM 0 HB3 ASP A 51 -4.198 -2.456 -10.867 1.00 0.45 H new ATOM 816 N LEU A 52 -1.000 -2.976 -8.426 1.00 0.40 N ATOM 817 CA LEU A 52 -0.054 -2.019 -7.859 1.00 0.37 C ATOM 818 C LEU A 52 0.594 -1.151 -8.935 1.00 0.36 C ATOM 819 O LEU A 52 0.940 -0.002 -8.677 1.00 0.43 O ATOM 820 CB LEU A 52 1.028 -2.756 -7.069 1.00 0.39 C ATOM 821 CG LEU A 52 1.960 -1.862 -6.250 1.00 0.45 C ATOM 822 CD1 LEU A 52 1.227 -1.286 -5.050 1.00 1.06 C ATOM 823 CD2 LEU A 52 3.188 -2.641 -5.807 1.00 1.29 C ATOM 0 H LEU A 52 -0.759 -3.952 -8.255 1.00 0.40 H new ATOM 0 HA LEU A 52 -0.613 -1.362 -7.193 1.00 0.37 H new ATOM 0 HB2 LEU A 52 0.545 -3.464 -6.395 1.00 0.39 H new ATOM 0 HB3 LEU A 52 1.630 -3.339 -7.766 1.00 0.39 H new ATOM 0 HG LEU A 52 2.287 -1.034 -6.879 1.00 0.45 H new ATOM 0 HD11 LEU A 52 1.906 -0.653 -4.479 1.00 1.06 H new ATOM 0 HD12 LEU A 52 0.379 -0.693 -5.392 1.00 1.06 H new ATOM 0 HD13 LEU A 52 0.870 -2.099 -4.417 1.00 1.06 H new ATOM 0 HD21 LEU A 52 3.841 -1.991 -5.225 1.00 1.29 H new ATOM 0 HD22 LEU A 52 2.880 -3.488 -5.194 1.00 1.29 H new ATOM 0 HD23 LEU A 52 3.725 -3.004 -6.684 1.00 1.29 H new ATOM 835 N TYR A 53 0.764 -1.700 -10.135 1.00 0.32 N ATOM 836 CA TYR A 53 1.382 -0.951 -11.227 1.00 0.33 C ATOM 837 C TYR A 53 0.444 0.141 -11.737 1.00 0.32 C ATOM 838 O TYR A 53 0.849 1.298 -11.912 1.00 0.32 O ATOM 839 CB TYR A 53 1.756 -1.903 -12.367 1.00 0.38 C ATOM 840 CG TYR A 53 2.246 -1.204 -13.615 1.00 0.32 C ATOM 841 CD1 TYR A 53 3.504 -0.618 -13.660 1.00 0.45 C ATOM 842 CD2 TYR A 53 1.448 -1.131 -14.751 1.00 0.32 C ATOM 843 CE1 TYR A 53 3.954 0.020 -14.800 1.00 0.51 C ATOM 844 CE2 TYR A 53 1.891 -0.496 -15.895 1.00 0.36 C ATOM 845 CZ TYR A 53 3.144 0.079 -15.914 1.00 0.43 C ATOM 846 OH TYR A 53 3.587 0.712 -17.052 1.00 0.54 O ATOM 0 H TYR A 53 0.486 -2.651 -10.375 1.00 0.32 H new ATOM 0 HA TYR A 53 2.286 -0.473 -10.850 1.00 0.33 H new ATOM 0 HB2 TYR A 53 2.530 -2.586 -12.017 1.00 0.38 H new ATOM 0 HB3 TYR A 53 0.887 -2.510 -12.620 1.00 0.38 H new ATOM 0 HD1 TYR A 53 4.141 -0.662 -12.789 1.00 0.45 H new ATOM 0 HD2 TYR A 53 0.465 -1.578 -14.739 1.00 0.32 H new ATOM 0 HE1 TYR A 53 4.935 0.470 -14.818 1.00 0.51 H new ATOM 0 HE2 TYR A 53 1.259 -0.450 -16.770 1.00 0.36 H new ATOM 0 HH TYR A 53 2.895 0.662 -17.744 1.00 0.54 H new ATOM 856 N ARG A 54 -0.817 -0.221 -11.949 1.00 0.33 N ATOM 857 CA ARG A 54 -1.809 0.734 -12.421 1.00 0.34 C ATOM 858 C ARG A 54 -2.136 1.697 -11.298 1.00 0.32 C ATOM 859 O ARG A 54 -2.403 2.874 -11.523 1.00 0.32 O ATOM 860 CB ARG A 54 -3.084 0.021 -12.881 1.00 0.38 C ATOM 861 CG ARG A 54 -2.872 -1.437 -13.241 1.00 0.40 C ATOM 862 CD ARG A 54 -4.126 -2.049 -13.845 1.00 0.45 C ATOM 863 NE ARG A 54 -4.589 -1.305 -15.014 1.00 0.98 N ATOM 864 CZ ARG A 54 -5.445 -1.789 -15.909 1.00 1.19 C ATOM 865 NH1 ARG A 54 -5.930 -3.015 -15.770 1.00 1.28 N ATOM 866 NH2 ARG A 54 -5.815 -1.047 -16.943 1.00 1.85 N ATOM 0 H ARG A 54 -1.174 -1.165 -11.802 1.00 0.33 H new ATOM 0 HA ARG A 54 -1.400 1.276 -13.274 1.00 0.34 H new ATOM 0 HB2 ARG A 54 -3.831 0.086 -12.090 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -3.490 0.544 -13.747 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -2.047 -1.522 -13.948 1.00 0.40 H new ATOM 0 HG3 ARG A 54 -2.586 -1.995 -12.350 1.00 0.40 H new ATOM 0 HD2 ARG A 54 -3.925 -3.082 -14.129 1.00 0.45 H new ATOM 0 HD3 ARG A 54 -4.916 -2.073 -13.094 1.00 0.45 H new ATOM 0 HE ARG A 54 -4.235 -0.358 -15.152 1.00 0.98 H new ATOM 0 HH11 ARG A 54 -5.647 -3.589 -14.976 1.00 1.28 H new ATOM 0 HH12 ARG A 54 -6.587 -3.385 -16.457 1.00 1.28 H new ATOM 0 HH21 ARG A 54 -5.443 -0.104 -17.053 1.00 1.85 H new ATOM 0 HH22 ARG A 54 -6.472 -1.419 -17.629 1.00 1.85 H new ATOM 880 N LEU A 55 -2.102 1.170 -10.083 1.00 0.30 N ATOM 881 CA LEU A 55 -2.376 1.953 -8.895 1.00 0.28 C ATOM 882 C LEU A 55 -1.237 2.936 -8.651 1.00 0.26 C ATOM 883 O LEU A 55 -1.446 4.044 -8.166 1.00 0.25 O ATOM 884 CB LEU A 55 -2.567 1.023 -7.690 1.00 0.32 C ATOM 885 CG LEU A 55 -2.805 1.708 -6.339 1.00 0.31 C ATOM 886 CD1 LEU A 55 -3.691 2.936 -6.492 1.00 0.88 C ATOM 887 CD2 LEU A 55 -3.432 0.726 -5.361 1.00 0.79 C ATOM 0 H LEU A 55 -1.884 0.191 -9.897 1.00 0.30 H new ATOM 0 HA LEU A 55 -3.295 2.521 -9.037 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -3.412 0.366 -7.895 1.00 0.32 H new ATOM 0 HB3 LEU A 55 -1.684 0.390 -7.602 1.00 0.32 H new ATOM 0 HG LEU A 55 -1.841 2.036 -5.950 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -3.841 3.400 -5.517 1.00 0.88 H new ATOM 0 HD12 LEU A 55 -3.212 3.649 -7.163 1.00 0.88 H new ATOM 0 HD13 LEU A 55 -4.655 2.640 -6.906 1.00 0.88 H new ATOM 0 HD21 LEU A 55 -3.598 1.221 -4.404 1.00 0.79 H new ATOM 0 HD22 LEU A 55 -4.385 0.376 -5.758 1.00 0.79 H new ATOM 0 HD23 LEU A 55 -2.764 -0.123 -5.219 1.00 0.79 H new ATOM 899 N TYR A 56 -0.024 2.511 -8.998 1.00 0.30 N ATOM 900 CA TYR A 56 1.163 3.344 -8.836 1.00 0.30 C ATOM 901 C TYR A 56 1.113 4.524 -9.802 1.00 0.30 C ATOM 902 O TYR A 56 1.285 5.678 -9.403 1.00 0.29 O ATOM 903 CB TYR A 56 2.418 2.501 -9.086 1.00 0.35 C ATOM 904 CG TYR A 56 3.726 3.252 -8.959 1.00 0.36 C ATOM 905 CD1 TYR A 56 4.222 4.005 -10.015 1.00 0.95 C ATOM 906 CD2 TYR A 56 4.475 3.184 -7.793 1.00 0.68 C ATOM 907 CE1 TYR A 56 5.423 4.676 -9.911 1.00 1.03 C ATOM 908 CE2 TYR A 56 5.682 3.849 -7.682 1.00 0.85 C ATOM 909 CZ TYR A 56 6.151 4.594 -8.743 1.00 0.74 C ATOM 910 OH TYR A 56 7.351 5.258 -8.640 1.00 0.97 O ATOM 0 H TYR A 56 0.162 1.590 -9.395 1.00 0.30 H new ATOM 0 HA TYR A 56 1.194 3.734 -7.819 1.00 0.30 H new ATOM 0 HB2 TYR A 56 2.424 1.668 -8.383 1.00 0.35 H new ATOM 0 HB3 TYR A 56 2.357 2.073 -10.087 1.00 0.35 H new ATOM 0 HD1 TYR A 56 3.658 4.066 -10.934 1.00 0.95 H new ATOM 0 HD2 TYR A 56 4.110 2.603 -6.959 1.00 0.68 H new ATOM 0 HE1 TYR A 56 5.791 5.262 -10.740 1.00 1.03 H new ATOM 0 HE2 TYR A 56 6.255 3.785 -6.769 1.00 0.85 H new ATOM 0 HH TYR A 56 7.329 6.062 -9.199 1.00 0.97 H new ATOM 920 N VAL A 57 0.871 4.233 -11.075 1.00 0.33 N ATOM 921 CA VAL A 57 0.785 5.287 -12.077 1.00 0.35 C ATOM 922 C VAL A 57 -0.452 6.139 -11.842 1.00 0.31 C ATOM 923 O VAL A 57 -0.464 7.332 -12.147 1.00 0.32 O ATOM 924 CB VAL A 57 0.737 4.716 -13.506 1.00 0.40 C ATOM 925 CG1 VAL A 57 1.998 3.930 -13.804 1.00 0.44 C ATOM 926 CG2 VAL A 57 -0.496 3.847 -13.699 1.00 0.38 C ATOM 0 H VAL A 57 0.733 3.288 -11.434 1.00 0.33 H new ATOM 0 HA VAL A 57 1.683 5.897 -11.979 1.00 0.35 H new ATOM 0 HB VAL A 57 0.676 5.549 -14.206 1.00 0.40 H new ATOM 0 HG11 VAL A 57 1.948 3.533 -14.818 1.00 0.44 H new ATOM 0 HG12 VAL A 57 2.865 4.585 -13.713 1.00 0.44 H new ATOM 0 HG13 VAL A 57 2.089 3.106 -13.096 1.00 0.44 H new ATOM 0 HG21 VAL A 57 -0.509 3.454 -14.716 1.00 0.38 H new ATOM 0 HG22 VAL A 57 -0.472 3.019 -12.991 1.00 0.38 H new ATOM 0 HG23 VAL A 57 -1.392 4.444 -13.529 1.00 0.38 H new ATOM 936 N SER A 58 -1.492 5.520 -11.289 1.00 0.29 N ATOM 937 CA SER A 58 -2.728 6.233 -11.016 1.00 0.27 C ATOM 938 C SER A 58 -2.571 7.150 -9.813 1.00 0.24 C ATOM 939 O SER A 58 -3.083 8.264 -9.814 1.00 0.25 O ATOM 940 CB SER A 58 -3.890 5.268 -10.788 1.00 0.27 C ATOM 941 OG SER A 58 -4.275 4.637 -11.998 1.00 1.13 O ATOM 0 H SER A 58 -1.500 4.535 -11.025 1.00 0.29 H new ATOM 0 HA SER A 58 -2.953 6.839 -11.894 1.00 0.27 H new ATOM 0 HB2 SER A 58 -3.602 4.513 -10.056 1.00 0.27 H new ATOM 0 HB3 SER A 58 -4.739 5.809 -10.370 1.00 0.27 H new ATOM 0 HG SER A 58 -3.601 3.971 -12.248 1.00 1.13 H new ATOM 947 N VAL A 59 -1.875 6.683 -8.778 1.00 0.24 N ATOM 948 CA VAL A 59 -1.667 7.507 -7.597 1.00 0.23 C ATOM 949 C VAL A 59 -0.735 8.655 -7.945 1.00 0.23 C ATOM 950 O VAL A 59 -0.873 9.764 -7.430 1.00 0.22 O ATOM 951 CB VAL A 59 -1.091 6.712 -6.407 1.00 0.25 C ATOM 952 CG1 VAL A 59 0.280 6.146 -6.737 1.00 0.27 C ATOM 953 CG2 VAL A 59 -1.027 7.593 -5.170 1.00 0.26 C ATOM 0 H VAL A 59 -1.454 5.755 -8.735 1.00 0.24 H new ATOM 0 HA VAL A 59 -2.642 7.883 -7.286 1.00 0.23 H new ATOM 0 HB VAL A 59 -1.755 5.872 -6.204 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.660 5.591 -5.880 1.00 0.27 H new ATOM 0 HG12 VAL A 59 0.201 5.479 -7.595 1.00 0.27 H new ATOM 0 HG13 VAL A 59 0.963 6.962 -6.973 1.00 0.27 H new ATOM 0 HG21 VAL A 59 -0.619 7.021 -4.337 1.00 0.26 H new ATOM 0 HG22 VAL A 59 -0.387 8.453 -5.368 1.00 0.26 H new ATOM 0 HG23 VAL A 59 -2.029 7.938 -4.917 1.00 0.26 H new ATOM 963 N LYS A 60 0.218 8.373 -8.829 1.00 0.26 N ATOM 964 CA LYS A 60 1.156 9.385 -9.283 1.00 0.27 C ATOM 965 C LYS A 60 0.405 10.482 -10.030 1.00 0.26 C ATOM 966 O LYS A 60 0.565 11.668 -9.741 1.00 0.26 O ATOM 967 CB LYS A 60 2.215 8.754 -10.192 1.00 0.31 C ATOM 968 CG LYS A 60 3.348 8.084 -9.433 1.00 0.99 C ATOM 969 CD LYS A 60 4.680 8.248 -10.150 1.00 0.98 C ATOM 970 CE LYS A 60 4.658 7.629 -11.539 1.00 1.26 C ATOM 971 NZ LYS A 60 5.972 7.760 -12.225 1.00 1.78 N ATOM 0 H LYS A 60 0.358 7.451 -9.243 1.00 0.26 H new ATOM 0 HA LYS A 60 1.657 9.821 -8.419 1.00 0.27 H new ATOM 0 HB2 LYS A 60 1.736 8.018 -10.837 1.00 0.31 H new ATOM 0 HB3 LYS A 60 2.630 9.525 -10.842 1.00 0.31 H new ATOM 0 HG2 LYS A 60 3.418 8.511 -8.433 1.00 0.99 H new ATOM 0 HG3 LYS A 60 3.128 7.023 -9.312 1.00 0.99 H new ATOM 0 HD2 LYS A 60 4.921 9.308 -10.229 1.00 0.98 H new ATOM 0 HD3 LYS A 60 5.470 7.785 -9.559 1.00 0.98 H new ATOM 0 HE2 LYS A 60 4.392 6.575 -11.463 1.00 1.26 H new ATOM 0 HE3 LYS A 60 3.886 8.110 -12.139 1.00 1.26 H new ATOM 0 HZ1 LYS A 60 5.916 7.326 -13.168 1.00 1.78 H new ATOM 0 HZ2 LYS A 60 6.215 8.767 -12.321 1.00 1.78 H new ATOM 0 HZ3 LYS A 60 6.705 7.279 -11.666 1.00 1.78 H new ATOM 985 N GLU A 61 -0.418 10.070 -10.994 1.00 0.26 N ATOM 986 CA GLU A 61 -1.217 11.008 -11.772 1.00 0.26 C ATOM 987 C GLU A 61 -2.270 11.664 -10.881 1.00 0.24 C ATOM 988 O GLU A 61 -2.658 12.812 -11.094 1.00 0.24 O ATOM 989 CB GLU A 61 -1.882 10.297 -12.951 1.00 0.27 C ATOM 990 CG GLU A 61 -3.076 9.461 -12.553 1.00 1.22 C ATOM 991 CD GLU A 61 -3.754 8.802 -13.739 1.00 1.54 C ATOM 992 OE1 GLU A 61 -4.653 9.433 -14.334 1.00 1.78 O ATOM 993 OE2 GLU A 61 -3.384 7.657 -14.073 1.00 1.88 O ATOM 0 H GLU A 61 -0.547 9.092 -11.253 1.00 0.26 H new ATOM 0 HA GLU A 61 -0.560 11.783 -12.167 1.00 0.26 H new ATOM 0 HB2 GLU A 61 -2.197 11.041 -13.683 1.00 0.27 H new ATOM 0 HB3 GLU A 61 -1.148 9.658 -13.441 1.00 0.27 H new ATOM 0 HG2 GLU A 61 -2.757 8.692 -11.849 1.00 1.22 H new ATOM 0 HG3 GLU A 61 -3.797 10.091 -12.032 1.00 1.22 H new ATOM 1000 N ILE A 62 -2.725 10.910 -9.881 1.00 0.24 N ATOM 1001 CA ILE A 62 -3.725 11.389 -8.933 1.00 0.23 C ATOM 1002 C ILE A 62 -3.278 12.697 -8.283 1.00 0.25 C ATOM 1003 O ILE A 62 -4.100 13.559 -7.970 1.00 0.27 O ATOM 1004 CB ILE A 62 -4.007 10.319 -7.852 1.00 0.26 C ATOM 1005 CG1 ILE A 62 -5.249 9.502 -8.241 1.00 0.29 C ATOM 1006 CG2 ILE A 62 -4.171 10.950 -6.471 1.00 0.25 C ATOM 1007 CD1 ILE A 62 -5.646 8.466 -7.214 1.00 0.33 C ATOM 0 H ILE A 62 -2.412 9.955 -9.707 1.00 0.24 H new ATOM 0 HA ILE A 62 -4.647 11.579 -9.483 1.00 0.23 H new ATOM 0 HB ILE A 62 -3.149 9.649 -7.796 1.00 0.26 H new ATOM 0 HG12 ILE A 62 -6.085 10.183 -8.398 1.00 0.29 H new ATOM 0 HG13 ILE A 62 -5.061 9.004 -9.192 1.00 0.29 H new ATOM 0 HG21 ILE A 62 -4.368 10.170 -5.736 1.00 0.25 H new ATOM 0 HG22 ILE A 62 -3.257 11.480 -6.202 1.00 0.25 H new ATOM 0 HG23 ILE A 62 -5.005 11.651 -6.488 1.00 0.25 H new ATOM 0 HD11 ILE A 62 -6.530 7.931 -7.560 1.00 0.33 H new ATOM 0 HD12 ILE A 62 -4.827 7.761 -7.073 1.00 0.33 H new ATOM 0 HD13 ILE A 62 -5.867 8.959 -6.267 1.00 0.33 H new ATOM 1019 N GLY A 63 -1.969 12.839 -8.093 1.00 0.30 N ATOM 1020 CA GLY A 63 -1.434 14.041 -7.482 1.00 0.37 C ATOM 1021 C GLY A 63 -0.339 13.739 -6.479 1.00 0.46 C ATOM 1022 O GLY A 63 0.710 14.383 -6.475 1.00 0.74 O ATOM 0 H GLY A 63 -1.270 12.142 -8.352 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -1.041 14.697 -8.259 1.00 0.37 H new ATOM 0 HA3 GLY A 63 -2.239 14.582 -6.985 1.00 0.37 H new ATOM 1026 N GLY A 64 -0.593 12.756 -5.626 1.00 0.29 N ATOM 1027 CA GLY A 64 0.369 12.369 -4.612 1.00 0.35 C ATOM 1028 C GLY A 64 -0.310 11.713 -3.429 1.00 0.38 C ATOM 1029 O GLY A 64 -1.535 11.705 -3.352 1.00 0.50 O ATOM 0 H GLY A 64 -1.457 12.214 -5.619 1.00 0.29 H new ATOM 0 HA2 GLY A 64 1.097 11.682 -5.043 1.00 0.35 H new ATOM 0 HA3 GLY A 64 0.920 13.248 -4.276 1.00 0.35 H new ATOM 1033 N LEU A 65 0.475 11.200 -2.487 1.00 0.32 N ATOM 1034 CA LEU A 65 -0.080 10.510 -1.321 1.00 0.35 C ATOM 1035 C LEU A 65 -1.024 11.400 -0.510 1.00 0.32 C ATOM 1036 O LEU A 65 -2.002 10.910 0.055 1.00 0.35 O ATOM 1037 CB LEU A 65 1.026 9.945 -0.407 1.00 0.43 C ATOM 1038 CG LEU A 65 2.372 10.690 -0.378 1.00 0.94 C ATOM 1039 CD1 LEU A 65 3.217 10.330 -1.590 1.00 1.62 C ATOM 1040 CD2 LEU A 65 2.178 12.198 -0.287 1.00 0.86 C ATOM 0 H LEU A 65 1.494 11.247 -2.505 1.00 0.32 H new ATOM 0 HA LEU A 65 -0.661 9.677 -1.717 1.00 0.35 H new ATOM 0 HB2 LEU A 65 0.637 9.912 0.611 1.00 0.43 H new ATOM 0 HB3 LEU A 65 1.218 8.915 -0.708 1.00 0.43 H new ATOM 0 HG LEU A 65 2.902 10.371 0.519 1.00 0.94 H new ATOM 0 HD11 LEU A 65 4.163 10.869 -1.547 1.00 1.62 H new ATOM 0 HD12 LEU A 65 3.410 9.257 -1.593 1.00 1.62 H new ATOM 0 HD13 LEU A 65 2.684 10.605 -2.500 1.00 1.62 H new ATOM 0 HD21 LEU A 65 3.151 12.690 -0.269 1.00 0.86 H new ATOM 0 HD22 LEU A 65 1.612 12.545 -1.152 1.00 0.86 H new ATOM 0 HD23 LEU A 65 1.632 12.440 0.625 1.00 0.86 H new ATOM 1052 N THR A 66 -0.743 12.697 -0.453 1.00 0.35 N ATOM 1053 CA THR A 66 -1.593 13.617 0.299 1.00 0.36 C ATOM 1054 C THR A 66 -2.883 13.900 -0.459 1.00 0.30 C ATOM 1055 O THR A 66 -3.933 14.123 0.143 1.00 0.28 O ATOM 1056 CB THR A 66 -0.884 14.952 0.584 1.00 0.47 C ATOM 1057 OG1 THR A 66 0.535 14.791 0.478 1.00 0.76 O ATOM 1058 CG2 THR A 66 -1.235 15.465 1.972 1.00 0.65 C ATOM 0 H THR A 66 0.057 13.133 -0.912 1.00 0.35 H new ATOM 0 HA THR A 66 -1.817 13.130 1.248 1.00 0.36 H new ATOM 0 HB THR A 66 -1.222 15.679 -0.155 1.00 0.47 H new ATOM 0 HG1 THR A 66 0.976 15.647 0.660 1.00 0.76 H new ATOM 0 HG21 THR A 66 -0.722 16.410 2.151 1.00 0.65 H new ATOM 0 HG22 THR A 66 -2.312 15.618 2.042 1.00 0.65 H new ATOM 0 HG23 THR A 66 -0.923 14.735 2.719 1.00 0.65 H new ATOM 1066 N GLN A 67 -2.792 13.886 -1.783 1.00 0.30 N ATOM 1067 CA GLN A 67 -3.949 14.142 -2.631 1.00 0.29 C ATOM 1068 C GLN A 67 -4.948 13.000 -2.530 1.00 0.23 C ATOM 1069 O GLN A 67 -6.155 13.220 -2.516 1.00 0.28 O ATOM 1070 CB GLN A 67 -3.508 14.343 -4.082 1.00 0.35 C ATOM 1071 CG GLN A 67 -2.177 15.063 -4.204 1.00 0.93 C ATOM 1072 CD GLN A 67 -2.183 16.429 -3.543 1.00 1.08 C ATOM 1073 OE1 GLN A 67 -1.158 16.890 -3.040 1.00 1.29 O ATOM 1074 NE2 GLN A 67 -3.337 17.089 -3.545 1.00 1.77 N ATOM 0 H GLN A 67 -1.928 13.700 -2.293 1.00 0.30 H new ATOM 0 HA GLN A 67 -4.437 15.054 -2.287 1.00 0.29 H new ATOM 0 HB2 GLN A 67 -3.435 13.372 -4.572 1.00 0.35 H new ATOM 0 HB3 GLN A 67 -4.272 14.911 -4.613 1.00 0.35 H new ATOM 0 HG2 GLN A 67 -1.396 14.451 -3.754 1.00 0.93 H new ATOM 0 HG3 GLN A 67 -1.926 15.176 -5.259 1.00 0.93 H new ATOM 0 HE21 GLN A 67 -4.163 16.671 -3.973 1.00 1.77 H new ATOM 0 HE22 GLN A 67 -3.396 18.014 -3.119 1.00 1.77 H new ATOM 1083 N VAL A 68 -4.442 11.776 -2.454 1.00 0.22 N ATOM 1084 CA VAL A 68 -5.304 10.607 -2.337 1.00 0.26 C ATOM 1085 C VAL A 68 -6.006 10.605 -0.987 1.00 0.28 C ATOM 1086 O VAL A 68 -7.153 10.177 -0.862 1.00 0.39 O ATOM 1087 CB VAL A 68 -4.514 9.290 -2.471 1.00 0.37 C ATOM 1088 CG1 VAL A 68 -5.353 8.237 -3.171 1.00 0.69 C ATOM 1089 CG2 VAL A 68 -3.209 9.499 -3.214 1.00 0.52 C ATOM 0 H VAL A 68 -3.444 11.567 -2.471 1.00 0.22 H new ATOM 0 HA VAL A 68 -6.029 10.667 -3.149 1.00 0.26 H new ATOM 0 HB VAL A 68 -4.276 8.943 -1.465 1.00 0.37 H new ATOM 0 HG11 VAL A 68 -4.780 7.314 -3.257 1.00 0.69 H new ATOM 0 HG12 VAL A 68 -6.258 8.050 -2.593 1.00 0.69 H new ATOM 0 HG13 VAL A 68 -5.624 8.590 -4.166 1.00 0.69 H new ATOM 0 HG21 VAL A 68 -2.678 8.550 -3.290 1.00 0.52 H new ATOM 0 HG22 VAL A 68 -3.417 9.880 -4.214 1.00 0.52 H new ATOM 0 HG23 VAL A 68 -2.593 10.217 -2.673 1.00 0.52 H new ATOM 1099 N ASN A 69 -5.294 11.096 0.018 1.00 0.24 N ATOM 1100 CA ASN A 69 -5.791 11.140 1.387 1.00 0.29 C ATOM 1101 C ASN A 69 -6.891 12.182 1.626 1.00 0.31 C ATOM 1102 O ASN A 69 -7.699 12.013 2.540 1.00 0.40 O ATOM 1103 CB ASN A 69 -4.627 11.410 2.341 1.00 0.30 C ATOM 1104 CG ASN A 69 -5.042 11.339 3.798 1.00 0.43 C ATOM 1105 OD1 ASN A 69 -5.442 12.341 4.391 1.00 1.20 O ATOM 1106 ND2 ASN A 69 -4.949 10.151 4.382 1.00 1.17 N ATOM 0 H ASN A 69 -4.354 11.476 -0.093 1.00 0.24 H new ATOM 0 HA ASN A 69 -6.245 10.167 1.575 1.00 0.29 H new ATOM 0 HB2 ASN A 69 -3.834 10.685 2.157 1.00 0.30 H new ATOM 0 HB3 ASN A 69 -4.212 12.396 2.132 1.00 0.30 H new ATOM 0 HD21 ASN A 69 -5.214 10.042 5.361 1.00 1.17 H new ATOM 0 HD22 ASN A 69 -4.612 9.347 3.852 1.00 1.17 H new ATOM 1113 N LYS A 70 -6.941 13.254 0.830 1.00 0.28 N ATOM 1114 CA LYS A 70 -7.935 14.305 1.080 1.00 0.38 C ATOM 1115 C LYS A 70 -8.703 14.776 -0.162 1.00 0.33 C ATOM 1116 O LYS A 70 -9.598 15.613 -0.042 1.00 0.36 O ATOM 1117 CB LYS A 70 -7.234 15.506 1.717 1.00 0.47 C ATOM 1118 CG LYS A 70 -6.332 16.262 0.755 1.00 0.46 C ATOM 1119 CD LYS A 70 -5.475 17.283 1.483 1.00 0.74 C ATOM 1120 CE LYS A 70 -6.302 18.461 1.973 1.00 1.09 C ATOM 1121 NZ LYS A 70 -6.959 19.183 0.850 1.00 1.81 N ATOM 0 H LYS A 70 -6.327 13.417 0.032 1.00 0.28 H new ATOM 0 HA LYS A 70 -8.680 13.863 1.741 1.00 0.38 H new ATOM 0 HB2 LYS A 70 -7.987 16.189 2.110 1.00 0.47 H new ATOM 0 HB3 LYS A 70 -6.641 15.163 2.565 1.00 0.47 H new ATOM 0 HG2 LYS A 70 -5.690 15.557 0.226 1.00 0.46 H new ATOM 0 HG3 LYS A 70 -6.940 16.765 0.003 1.00 0.46 H new ATOM 0 HD2 LYS A 70 -4.982 16.807 2.330 1.00 0.74 H new ATOM 0 HD3 LYS A 70 -4.690 17.641 0.817 1.00 0.74 H new ATOM 0 HE2 LYS A 70 -7.061 18.107 2.670 1.00 1.09 H new ATOM 0 HE3 LYS A 70 -5.661 19.151 2.523 1.00 1.09 H new ATOM 0 HZ1 LYS A 70 -7.236 20.135 1.164 1.00 1.81 H new ATOM 0 HZ2 LYS A 70 -6.296 19.261 0.052 1.00 1.81 H new ATOM 0 HZ3 LYS A 70 -7.805 18.658 0.547 1.00 1.81 H new ATOM 1135 N ASN A 71 -8.376 14.266 -1.342 1.00 0.28 N ATOM 1136 CA ASN A 71 -9.067 14.708 -2.556 1.00 0.27 C ATOM 1137 C ASN A 71 -10.137 13.714 -3.016 1.00 0.28 C ATOM 1138 O ASN A 71 -10.585 13.773 -4.161 1.00 0.29 O ATOM 1139 CB ASN A 71 -8.070 14.971 -3.686 1.00 0.24 C ATOM 1140 CG ASN A 71 -8.561 16.029 -4.656 1.00 0.99 C ATOM 1141 OD1 ASN A 71 -9.218 15.719 -5.649 1.00 1.94 O ATOM 1142 ND2 ASN A 71 -8.244 17.287 -4.369 1.00 1.26 N ATOM 0 H ASN A 71 -7.654 13.561 -1.489 1.00 0.28 H new ATOM 0 HA ASN A 71 -9.575 15.639 -2.304 1.00 0.27 H new ATOM 0 HB2 ASN A 71 -7.117 15.286 -3.260 1.00 0.24 H new ATOM 0 HB3 ASN A 71 -7.886 14.043 -4.227 1.00 0.24 H new ATOM 0 HD21 ASN A 71 -8.548 18.042 -4.984 1.00 1.26 H new ATOM 0 HD22 ASN A 71 -7.697 17.497 -3.534 1.00 1.26 H new ATOM 1149 N LYS A 72 -10.550 12.806 -2.128 1.00 0.30 N ATOM 1150 CA LYS A 72 -11.572 11.812 -2.475 1.00 0.33 C ATOM 1151 C LYS A 72 -11.119 10.972 -3.649 1.00 0.30 C ATOM 1152 O LYS A 72 -11.936 10.439 -4.403 1.00 0.33 O ATOM 1153 CB LYS A 72 -12.904 12.495 -2.793 1.00 0.40 C ATOM 1154 CG LYS A 72 -13.477 13.284 -1.625 1.00 0.85 C ATOM 1155 CD LYS A 72 -14.880 13.785 -1.922 1.00 0.88 C ATOM 1156 CE LYS A 72 -14.870 14.881 -2.970 1.00 1.61 C ATOM 1157 NZ LYS A 72 -16.247 15.246 -3.406 1.00 2.04 N ATOM 0 H LYS A 72 -10.198 12.737 -1.173 1.00 0.30 H new ATOM 0 HA LYS A 72 -11.716 11.158 -1.615 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -12.766 13.166 -3.641 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.627 11.739 -3.099 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -13.496 12.655 -0.735 1.00 0.85 H new ATOM 0 HG3 LYS A 72 -12.827 14.131 -1.404 1.00 0.85 H new ATOM 0 HD2 LYS A 72 -15.498 12.956 -2.267 1.00 0.88 H new ATOM 0 HD3 LYS A 72 -15.335 14.161 -1.005 1.00 0.88 H new ATOM 0 HE2 LYS A 72 -14.371 15.763 -2.568 1.00 1.61 H new ATOM 0 HE3 LYS A 72 -14.291 14.553 -3.833 1.00 1.61 H new ATOM 0 HZ1 LYS A 72 -16.196 15.998 -4.122 1.00 2.04 H new ATOM 0 HZ2 LYS A 72 -16.715 14.411 -3.813 1.00 2.04 H new ATOM 0 HZ3 LYS A 72 -16.792 15.584 -2.587 1.00 2.04 H new ATOM 1171 N LYS A 73 -9.811 10.848 -3.794 1.00 0.25 N ATOM 1172 CA LYS A 73 -9.251 10.055 -4.864 1.00 0.24 C ATOM 1173 C LYS A 73 -9.592 8.596 -4.659 1.00 0.23 C ATOM 1174 O LYS A 73 -9.755 7.866 -5.620 1.00 0.25 O ATOM 1175 CB LYS A 73 -7.740 10.224 -4.934 1.00 0.31 C ATOM 1176 CG LYS A 73 -7.296 11.671 -5.034 1.00 0.35 C ATOM 1177 CD LYS A 73 -7.395 12.193 -6.460 1.00 0.36 C ATOM 1178 CE LYS A 73 -8.793 12.684 -6.789 1.00 0.79 C ATOM 1179 NZ LYS A 73 -8.840 13.391 -8.099 1.00 0.77 N ATOM 0 H LYS A 73 -9.122 11.287 -3.184 1.00 0.25 H new ATOM 0 HA LYS A 73 -9.681 10.400 -5.804 1.00 0.24 H new ATOM 0 HB2 LYS A 73 -7.291 9.775 -4.048 1.00 0.31 H new ATOM 0 HB3 LYS A 73 -7.361 9.676 -5.796 1.00 0.31 H new ATOM 0 HG2 LYS A 73 -7.911 12.287 -4.378 1.00 0.35 H new ATOM 0 HG3 LYS A 73 -6.268 11.761 -4.684 1.00 0.35 H new ATOM 0 HD2 LYS A 73 -6.683 13.006 -6.599 1.00 0.36 H new ATOM 0 HD3 LYS A 73 -7.115 11.402 -7.156 1.00 0.36 H new ATOM 0 HE2 LYS A 73 -9.480 11.838 -6.809 1.00 0.79 H new ATOM 0 HE3 LYS A 73 -9.137 13.355 -6.002 1.00 0.79 H new ATOM 0 HZ1 LYS A 73 -9.812 13.710 -8.286 1.00 0.77 H new ATOM 0 HZ2 LYS A 73 -8.204 14.214 -8.073 1.00 0.77 H new ATOM 0 HZ3 LYS A 73 -8.537 12.743 -8.854 1.00 0.77 H new ATOM 1193 N TRP A 74 -9.697 8.169 -3.396 1.00 0.22 N ATOM 1194 CA TRP A 74 -10.024 6.776 -3.101 1.00 0.24 C ATOM 1195 C TRP A 74 -11.150 6.303 -3.996 1.00 0.23 C ATOM 1196 O TRP A 74 -11.081 5.219 -4.584 1.00 0.22 O ATOM 1197 CB TRP A 74 -10.426 6.567 -1.636 1.00 0.26 C ATOM 1198 CG TRP A 74 -10.586 7.829 -0.840 1.00 0.43 C ATOM 1199 CD1 TRP A 74 -9.595 8.562 -0.255 1.00 1.46 C ATOM 1200 CD2 TRP A 74 -11.816 8.486 -0.519 1.00 0.82 C ATOM 1201 NE1 TRP A 74 -10.135 9.638 0.408 1.00 1.40 N ATOM 1202 CE2 TRP A 74 -11.497 9.613 0.259 1.00 0.70 C ATOM 1203 CE3 TRP A 74 -13.157 8.231 -0.818 1.00 2.03 C ATOM 1204 CZ2 TRP A 74 -12.471 10.483 0.743 1.00 1.11 C ATOM 1205 CZ3 TRP A 74 -14.121 9.095 -0.337 1.00 2.68 C ATOM 1206 CH2 TRP A 74 -13.775 10.210 0.435 1.00 2.12 C ATOM 0 H TRP A 74 -9.562 8.760 -2.575 1.00 0.22 H new ATOM 0 HA TRP A 74 -9.122 6.194 -3.288 1.00 0.24 H new ATOM 0 HB2 TRP A 74 -11.365 6.015 -1.607 1.00 0.26 H new ATOM 0 HB3 TRP A 74 -9.674 5.943 -1.153 1.00 0.26 H new ATOM 0 HD1 TRP A 74 -8.541 8.331 -0.305 1.00 1.46 H new ATOM 0 HE1 TRP A 74 -9.608 10.341 0.926 1.00 1.40 H new ATOM 0 HE3 TRP A 74 -13.434 7.374 -1.414 1.00 2.03 H new ATOM 0 HZ2 TRP A 74 -12.206 11.343 1.340 1.00 1.11 H new ATOM 0 HZ3 TRP A 74 -15.161 8.907 -0.561 1.00 2.68 H new ATOM 0 HH2 TRP A 74 -14.553 10.867 0.794 1.00 2.12 H new ATOM 1217 N ARG A 75 -12.189 7.119 -4.107 1.00 0.25 N ATOM 1218 CA ARG A 75 -13.314 6.759 -4.950 1.00 0.26 C ATOM 1219 C ARG A 75 -12.889 6.770 -6.419 1.00 0.23 C ATOM 1220 O ARG A 75 -13.375 5.975 -7.227 1.00 0.23 O ATOM 1221 CB ARG A 75 -14.491 7.706 -4.717 1.00 0.30 C ATOM 1222 CG ARG A 75 -15.836 7.041 -4.947 1.00 0.43 C ATOM 1223 CD ARG A 75 -16.933 7.683 -4.116 1.00 0.48 C ATOM 1224 NE ARG A 75 -16.617 7.693 -2.690 1.00 1.25 N ATOM 1225 CZ ARG A 75 -17.498 8.011 -1.744 1.00 1.68 C ATOM 1226 NH1 ARG A 75 -18.731 8.371 -2.076 1.00 1.51 N ATOM 1227 NH2 ARG A 75 -17.147 7.973 -0.467 1.00 2.57 N ATOM 0 H ARG A 75 -12.274 8.018 -3.633 1.00 0.25 H new ATOM 0 HA ARG A 75 -13.640 5.752 -4.688 1.00 0.26 H new ATOM 0 HB2 ARG A 75 -14.449 8.086 -3.696 1.00 0.30 H new ATOM 0 HB3 ARG A 75 -14.397 8.565 -5.381 1.00 0.30 H new ATOM 0 HG2 ARG A 75 -16.097 7.104 -6.004 1.00 0.43 H new ATOM 0 HG3 ARG A 75 -15.765 5.982 -4.699 1.00 0.43 H new ATOM 0 HD2 ARG A 75 -17.092 8.706 -4.457 1.00 0.48 H new ATOM 0 HD3 ARG A 75 -17.868 7.145 -4.275 1.00 0.48 H new ATOM 0 HE ARG A 75 -15.671 7.443 -2.404 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -19.006 8.405 -3.058 1.00 1.51 H new ATOM 0 HH12 ARG A 75 -19.404 8.614 -1.349 1.00 1.51 H new ATOM 0 HH21 ARG A 75 -16.200 7.700 -0.206 1.00 2.57 H new ATOM 0 HH22 ARG A 75 -17.824 8.217 0.256 1.00 2.57 H new ATOM 1241 N GLU A 76 -11.964 7.670 -6.750 1.00 0.23 N ATOM 1242 CA GLU A 76 -11.455 7.790 -8.114 1.00 0.22 C ATOM 1243 C GLU A 76 -10.625 6.569 -8.510 1.00 0.20 C ATOM 1244 O GLU A 76 -10.820 6.018 -9.590 1.00 0.20 O ATOM 1245 CB GLU A 76 -10.617 9.063 -8.266 1.00 0.25 C ATOM 1246 CG GLU A 76 -11.389 10.340 -7.976 1.00 1.27 C ATOM 1247 CD GLU A 76 -12.528 10.568 -8.951 1.00 1.67 C ATOM 1248 OE1 GLU A 76 -13.647 10.082 -8.681 1.00 2.05 O ATOM 1249 OE2 GLU A 76 -12.301 11.233 -9.982 1.00 2.09 O ATOM 0 H GLU A 76 -11.551 8.328 -6.089 1.00 0.23 H new ATOM 0 HA GLU A 76 -12.315 7.848 -8.781 1.00 0.22 H new ATOM 0 HB2 GLU A 76 -9.760 9.006 -7.594 1.00 0.25 H new ATOM 0 HB3 GLU A 76 -10.223 9.109 -9.281 1.00 0.25 H new ATOM 0 HG2 GLU A 76 -11.787 10.297 -6.962 1.00 1.27 H new ATOM 0 HG3 GLU A 76 -10.707 11.189 -8.015 1.00 1.27 H new ATOM 1256 N LEU A 77 -9.699 6.140 -7.642 1.00 0.19 N ATOM 1257 CA LEU A 77 -8.881 4.972 -7.944 1.00 0.19 C ATOM 1258 C LEU A 77 -9.765 3.742 -7.986 1.00 0.19 C ATOM 1259 O LEU A 77 -9.532 2.819 -8.767 1.00 0.22 O ATOM 1260 CB LEU A 77 -7.740 4.786 -6.930 1.00 0.20 C ATOM 1261 CG LEU A 77 -8.039 5.227 -5.493 1.00 0.18 C ATOM 1262 CD1 LEU A 77 -7.647 4.151 -4.499 1.00 0.21 C ATOM 1263 CD2 LEU A 77 -7.294 6.504 -5.161 1.00 0.24 C ATOM 0 H LEU A 77 -9.504 6.579 -6.742 1.00 0.19 H new ATOM 0 HA LEU A 77 -8.414 5.124 -8.917 1.00 0.19 H new ATOM 0 HB2 LEU A 77 -7.462 3.732 -6.915 1.00 0.20 H new ATOM 0 HB3 LEU A 77 -6.871 5.340 -7.285 1.00 0.20 H new ATOM 0 HG LEU A 77 -9.112 5.403 -5.421 1.00 0.18 H new ATOM 0 HD11 LEU A 77 -7.870 4.491 -3.488 1.00 0.21 H new ATOM 0 HD12 LEU A 77 -8.209 3.241 -4.708 1.00 0.21 H new ATOM 0 HD13 LEU A 77 -6.580 3.947 -4.586 1.00 0.21 H new ATOM 0 HD21 LEU A 77 -7.519 6.801 -4.137 1.00 0.24 H new ATOM 0 HD22 LEU A 77 -6.222 6.337 -5.263 1.00 0.24 H new ATOM 0 HD23 LEU A 77 -7.604 7.294 -5.844 1.00 0.24 H new ATOM 1275 N ALA A 78 -10.788 3.736 -7.134 1.00 0.20 N ATOM 1276 CA ALA A 78 -11.737 2.639 -7.104 1.00 0.21 C ATOM 1277 C ALA A 78 -12.427 2.537 -8.456 1.00 0.21 C ATOM 1278 O ALA A 78 -12.615 1.449 -8.998 1.00 0.23 O ATOM 1279 CB ALA A 78 -12.755 2.854 -5.994 1.00 0.24 C ATOM 0 H ALA A 78 -10.976 4.478 -6.460 1.00 0.20 H new ATOM 0 HA ALA A 78 -11.211 1.706 -6.902 1.00 0.21 H new ATOM 0 HB1 ALA A 78 -13.461 2.024 -5.982 1.00 0.24 H new ATOM 0 HB2 ALA A 78 -12.241 2.907 -5.034 1.00 0.24 H new ATOM 0 HB3 ALA A 78 -13.293 3.786 -6.169 1.00 0.24 H new ATOM 1285 N THR A 79 -12.794 3.695 -8.996 1.00 0.21 N ATOM 1286 CA THR A 79 -13.445 3.769 -10.297 1.00 0.23 C ATOM 1287 C THR A 79 -12.446 3.471 -11.413 1.00 0.24 C ATOM 1288 O THR A 79 -12.795 2.895 -12.443 1.00 0.28 O ATOM 1289 CB THR A 79 -14.058 5.163 -10.533 1.00 0.25 C ATOM 1290 OG1 THR A 79 -14.920 5.510 -9.443 1.00 0.25 O ATOM 1291 CG2 THR A 79 -14.841 5.197 -11.836 1.00 0.30 C ATOM 0 H THR A 79 -12.650 4.600 -8.548 1.00 0.21 H new ATOM 0 HA THR A 79 -14.241 3.024 -10.307 1.00 0.23 H new ATOM 0 HB THR A 79 -13.245 5.886 -10.598 1.00 0.25 H new ATOM 0 HG1 THR A 79 -14.379 5.771 -8.668 1.00 0.25 H new ATOM 0 HG21 THR A 79 -15.264 6.191 -11.980 1.00 0.30 H new ATOM 0 HG22 THR A 79 -14.176 4.962 -12.667 1.00 0.30 H new ATOM 0 HG23 THR A 79 -15.645 4.463 -11.796 1.00 0.30 H new ATOM 1299 N ASN A 80 -11.199 3.874 -11.189 1.00 0.22 N ATOM 1300 CA ASN A 80 -10.127 3.678 -12.159 1.00 0.25 C ATOM 1301 C ASN A 80 -9.730 2.209 -12.268 1.00 0.29 C ATOM 1302 O ASN A 80 -9.199 1.778 -13.291 1.00 0.37 O ATOM 1303 CB ASN A 80 -8.907 4.518 -11.763 1.00 0.25 C ATOM 1304 CG ASN A 80 -9.168 6.009 -11.864 1.00 0.98 C ATOM 1305 OD1 ASN A 80 -8.618 6.800 -11.097 1.00 1.68 O ATOM 1306 ND2 ASN A 80 -10.008 6.403 -12.815 1.00 1.75 N ATOM 0 H ASN A 80 -10.904 4.344 -10.333 1.00 0.22 H new ATOM 0 HA ASN A 80 -10.494 3.999 -13.134 1.00 0.25 H new ATOM 0 HB2 ASN A 80 -8.617 4.272 -10.741 1.00 0.25 H new ATOM 0 HB3 ASN A 80 -8.066 4.256 -12.405 1.00 0.25 H new ATOM 0 HD21 ASN A 80 -10.219 7.394 -12.931 1.00 1.75 H new ATOM 0 HD22 ASN A 80 -10.442 5.714 -13.429 1.00 1.75 H new ATOM 1313 N LEU A 81 -9.990 1.443 -11.213 1.00 0.36 N ATOM 1314 CA LEU A 81 -9.632 0.029 -11.194 1.00 0.40 C ATOM 1315 C LEU A 81 -10.861 -0.876 -11.318 1.00 0.42 C ATOM 1316 O LEU A 81 -10.783 -2.080 -11.078 1.00 0.45 O ATOM 1317 CB LEU A 81 -8.845 -0.278 -9.919 1.00 0.41 C ATOM 1318 CG LEU A 81 -7.557 0.537 -9.762 1.00 0.44 C ATOM 1319 CD1 LEU A 81 -6.881 0.226 -8.440 1.00 0.43 C ATOM 1320 CD2 LEU A 81 -6.607 0.265 -10.918 1.00 0.50 C ATOM 0 H LEU A 81 -10.445 1.776 -10.363 1.00 0.36 H new ATOM 0 HA LEU A 81 -9.006 -0.179 -12.062 1.00 0.40 H new ATOM 0 HB2 LEU A 81 -9.486 -0.093 -9.057 1.00 0.41 H new ATOM 0 HB3 LEU A 81 -8.594 -1.339 -9.907 1.00 0.41 H new ATOM 0 HG LEU A 81 -7.822 1.594 -9.772 1.00 0.44 H new ATOM 0 HD11 LEU A 81 -5.969 0.816 -8.350 1.00 0.43 H new ATOM 0 HD12 LEU A 81 -7.555 0.473 -7.620 1.00 0.43 H new ATOM 0 HD13 LEU A 81 -6.633 -0.835 -8.399 1.00 0.43 H new ATOM 0 HD21 LEU A 81 -5.698 0.853 -10.788 1.00 0.50 H new ATOM 0 HD22 LEU A 81 -6.353 -0.795 -10.939 1.00 0.50 H new ATOM 0 HD23 LEU A 81 -7.087 0.542 -11.857 1.00 0.50 H new ATOM 1332 N ASN A 82 -11.992 -0.282 -11.699 1.00 0.44 N ATOM 1333 CA ASN A 82 -13.240 -1.025 -11.892 1.00 0.48 C ATOM 1334 C ASN A 82 -13.603 -1.884 -10.680 1.00 0.43 C ATOM 1335 O ASN A 82 -13.849 -3.081 -10.811 1.00 0.66 O ATOM 1336 CB ASN A 82 -13.133 -1.907 -13.139 1.00 0.57 C ATOM 1337 CG ASN A 82 -14.469 -2.492 -13.555 1.00 1.28 C ATOM 1338 OD1 ASN A 82 -14.534 -3.603 -14.084 1.00 2.00 O ATOM 1339 ND2 ASN A 82 -15.545 -1.747 -13.323 1.00 2.01 N ATOM 0 H ASN A 82 -12.071 0.718 -11.881 1.00 0.44 H new ATOM 0 HA ASN A 82 -14.036 -0.291 -12.020 1.00 0.48 H new ATOM 0 HB2 ASN A 82 -12.726 -1.319 -13.962 1.00 0.57 H new ATOM 0 HB3 ASN A 82 -12.429 -2.717 -12.947 1.00 0.57 H new ATOM 0 HD21 ASN A 82 -16.469 -2.090 -13.585 1.00 2.01 H new ATOM 0 HD22 ASN A 82 -15.447 -0.832 -12.883 1.00 2.01 H new ATOM 1346 N VAL A 83 -13.644 -1.268 -9.506 1.00 0.35 N ATOM 1347 CA VAL A 83 -13.991 -1.978 -8.277 1.00 0.35 C ATOM 1348 C VAL A 83 -15.308 -1.454 -7.712 1.00 0.43 C ATOM 1349 O VAL A 83 -15.988 -2.131 -6.941 1.00 0.50 O ATOM 1350 CB VAL A 83 -12.900 -1.799 -7.211 1.00 0.46 C ATOM 1351 CG1 VAL A 83 -11.523 -2.048 -7.804 1.00 1.16 C ATOM 1352 CG2 VAL A 83 -12.979 -0.409 -6.607 1.00 1.39 C ATOM 0 H VAL A 83 -13.441 -0.277 -9.376 1.00 0.35 H new ATOM 0 HA VAL A 83 -14.086 -3.035 -8.526 1.00 0.35 H new ATOM 0 HB VAL A 83 -13.065 -2.531 -6.421 1.00 0.46 H new ATOM 0 HG11 VAL A 83 -10.765 -1.916 -7.032 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -11.472 -3.065 -8.192 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -11.343 -1.341 -8.614 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -12.200 -0.295 -5.853 1.00 1.39 H new ATOM 0 HG22 VAL A 83 -12.838 0.336 -7.390 1.00 1.39 H new ATOM 0 HG23 VAL A 83 -13.956 -0.268 -6.144 1.00 1.39 H new ATOM 1362 N GLY A 84 -15.647 -0.236 -8.112 1.00 0.49 N ATOM 1363 CA GLY A 84 -16.857 0.411 -7.645 1.00 0.67 C ATOM 1364 C GLY A 84 -16.670 1.912 -7.578 1.00 0.86 C ATOM 1365 O GLY A 84 -15.551 2.400 -7.740 1.00 1.76 O ATOM 0 H GLY A 84 -15.095 0.323 -8.762 1.00 0.49 H new ATOM 0 HA2 GLY A 84 -17.684 0.172 -8.313 1.00 0.67 H new ATOM 0 HA3 GLY A 84 -17.123 0.028 -6.660 1.00 0.67 H new ATOM 1369 N THR A 85 -17.745 2.654 -7.338 1.00 0.54 N ATOM 1370 CA THR A 85 -17.642 4.107 -7.272 1.00 0.53 C ATOM 1371 C THR A 85 -18.431 4.687 -6.107 1.00 0.75 C ATOM 1372 O THR A 85 -18.563 5.904 -5.988 1.00 1.28 O ATOM 1373 CB THR A 85 -18.137 4.767 -8.573 1.00 0.56 C ATOM 1374 OG1 THR A 85 -19.569 4.741 -8.620 1.00 0.64 O ATOM 1375 CG2 THR A 85 -17.577 4.053 -9.795 1.00 0.65 C ATOM 0 H THR A 85 -18.683 2.282 -7.188 1.00 0.54 H new ATOM 0 HA THR A 85 -16.584 4.324 -7.128 1.00 0.53 H new ATOM 0 HB THR A 85 -17.787 5.799 -8.583 1.00 0.56 H new ATOM 0 HG1 THR A 85 -19.877 5.164 -9.449 1.00 0.64 H new ATOM 0 HG21 THR A 85 -17.942 4.539 -10.700 1.00 0.65 H new ATOM 0 HG22 THR A 85 -16.488 4.096 -9.774 1.00 0.65 H new ATOM 0 HG23 THR A 85 -17.899 3.012 -9.787 1.00 0.65 H new ATOM 1383 N SER A 86 -18.951 3.821 -5.245 1.00 1.21 N ATOM 1384 CA SER A 86 -19.725 4.275 -4.096 1.00 1.44 C ATOM 1385 C SER A 86 -19.837 3.186 -3.037 1.00 0.94 C ATOM 1386 O SER A 86 -19.331 2.077 -3.213 1.00 1.80 O ATOM 1387 CB SER A 86 -21.126 4.707 -4.535 1.00 2.34 C ATOM 1388 OG SER A 86 -21.071 5.814 -5.418 1.00 2.95 O ATOM 0 H SER A 86 -18.852 2.808 -5.319 1.00 1.21 H new ATOM 0 HA SER A 86 -19.201 5.126 -3.662 1.00 1.44 H new ATOM 0 HB2 SER A 86 -21.629 3.873 -5.025 1.00 2.34 H new ATOM 0 HB3 SER A 86 -21.720 4.967 -3.659 1.00 2.34 H new ATOM 0 HG SER A 86 -20.168 6.194 -5.411 1.00 2.95 H new ATOM 1394 N SER A 87 -20.500 3.524 -1.937 1.00 0.79 N ATOM 1395 CA SER A 87 -20.712 2.590 -0.839 1.00 1.15 C ATOM 1396 C SER A 87 -19.393 2.192 -0.164 1.00 0.95 C ATOM 1397 O SER A 87 -18.583 3.047 0.192 1.00 0.92 O ATOM 1398 CB SER A 87 -21.460 1.349 -1.345 1.00 1.76 C ATOM 1399 OG SER A 87 -21.863 0.519 -0.269 1.00 2.42 O ATOM 0 H SER A 87 -20.903 4.448 -1.782 1.00 0.79 H new ATOM 0 HA SER A 87 -21.319 3.091 -0.085 1.00 1.15 H new ATOM 0 HB2 SER A 87 -22.335 1.657 -1.918 1.00 1.76 H new ATOM 0 HB3 SER A 87 -20.818 0.785 -2.022 1.00 1.76 H new ATOM 0 HG SER A 87 -22.339 -0.263 -0.619 1.00 2.42 H new ATOM 1405 N SER A 88 -19.194 0.887 0.006 1.00 0.90 N ATOM 1406 CA SER A 88 -18.007 0.346 0.664 1.00 0.79 C ATOM 1407 C SER A 88 -16.761 0.368 -0.223 1.00 0.60 C ATOM 1408 O SER A 88 -15.648 0.285 0.285 1.00 0.53 O ATOM 1409 CB SER A 88 -18.278 -1.085 1.128 1.00 0.91 C ATOM 1410 OG SER A 88 -19.362 -1.129 2.039 1.00 1.36 O ATOM 0 H SER A 88 -19.852 0.174 -0.309 1.00 0.90 H new ATOM 0 HA SER A 88 -17.801 0.993 1.517 1.00 0.79 H new ATOM 0 HB2 SER A 88 -18.498 -1.715 0.266 1.00 0.91 H new ATOM 0 HB3 SER A 88 -17.385 -1.493 1.601 1.00 0.91 H new ATOM 0 HG SER A 88 -19.516 -2.055 2.319 1.00 1.36 H new ATOM 1416 N ALA A 89 -16.937 0.464 -1.536 1.00 0.54 N ATOM 1417 CA ALA A 89 -15.797 0.435 -2.457 1.00 0.40 C ATOM 1418 C ALA A 89 -14.772 1.538 -2.190 1.00 0.33 C ATOM 1419 O ALA A 89 -13.573 1.281 -2.238 1.00 0.29 O ATOM 1420 CB ALA A 89 -16.273 0.500 -3.903 1.00 0.39 C ATOM 0 H ALA A 89 -17.846 0.562 -1.987 1.00 0.54 H new ATOM 0 HA ALA A 89 -15.289 -0.513 -2.280 1.00 0.40 H new ATOM 0 HB1 ALA A 89 -15.412 0.477 -4.571 1.00 0.39 H new ATOM 0 HB2 ALA A 89 -16.917 -0.354 -4.113 1.00 0.39 H new ATOM 0 HB3 ALA A 89 -16.831 1.423 -4.061 1.00 0.39 H new ATOM 1426 N ALA A 90 -15.220 2.758 -1.918 1.00 0.37 N ATOM 1427 CA ALA A 90 -14.285 3.853 -1.653 1.00 0.35 C ATOM 1428 C ALA A 90 -13.519 3.615 -0.353 1.00 0.34 C ATOM 1429 O ALA A 90 -12.292 3.748 -0.310 1.00 0.32 O ATOM 1430 CB ALA A 90 -15.021 5.183 -1.608 1.00 0.42 C ATOM 0 H ALA A 90 -16.206 3.015 -1.875 1.00 0.37 H new ATOM 0 HA ALA A 90 -13.562 3.887 -2.468 1.00 0.35 H new ATOM 0 HB1 ALA A 90 -14.310 5.986 -1.410 1.00 0.42 H new ATOM 0 HB2 ALA A 90 -15.511 5.360 -2.565 1.00 0.42 H new ATOM 0 HB3 ALA A 90 -15.770 5.158 -0.816 1.00 0.42 H new ATOM 1436 N SER A 91 -14.241 3.242 0.698 1.00 0.38 N ATOM 1437 CA SER A 91 -13.622 2.985 1.993 1.00 0.39 C ATOM 1438 C SER A 91 -12.711 1.764 1.924 1.00 0.36 C ATOM 1439 O SER A 91 -11.621 1.749 2.504 1.00 0.36 O ATOM 1440 CB SER A 91 -14.693 2.774 3.064 1.00 0.45 C ATOM 1441 OG SER A 91 -15.519 3.918 3.191 1.00 1.35 O ATOM 0 H SER A 91 -15.252 3.111 0.679 1.00 0.38 H new ATOM 0 HA SER A 91 -13.021 3.854 2.259 1.00 0.39 H new ATOM 0 HB2 SER A 91 -15.303 1.908 2.807 1.00 0.45 H new ATOM 0 HB3 SER A 91 -14.218 2.557 4.020 1.00 0.45 H new ATOM 0 HG SER A 91 -16.197 3.757 3.881 1.00 1.35 H new ATOM 1447 N SER A 92 -13.156 0.745 1.192 1.00 0.34 N ATOM 1448 CA SER A 92 -12.387 -0.478 1.054 1.00 0.33 C ATOM 1449 C SER A 92 -11.154 -0.223 0.210 1.00 0.29 C ATOM 1450 O SER A 92 -10.081 -0.747 0.495 1.00 0.29 O ATOM 1451 CB SER A 92 -13.236 -1.585 0.427 1.00 0.35 C ATOM 1452 OG SER A 92 -13.651 -1.233 -0.881 1.00 1.41 O ATOM 0 H SER A 92 -14.043 0.747 0.689 1.00 0.34 H new ATOM 0 HA SER A 92 -12.078 -0.805 2.047 1.00 0.33 H new ATOM 0 HB2 SER A 92 -12.663 -2.511 0.393 1.00 0.35 H new ATOM 0 HB3 SER A 92 -14.110 -1.774 1.050 1.00 0.35 H new ATOM 0 HG SER A 92 -14.150 -1.977 -1.277 1.00 1.41 H new ATOM 1458 N LEU A 93 -11.309 0.595 -0.826 1.00 0.27 N ATOM 1459 CA LEU A 93 -10.192 0.922 -1.692 1.00 0.24 C ATOM 1460 C LEU A 93 -9.241 1.853 -0.969 1.00 0.26 C ATOM 1461 O LEU A 93 -8.069 1.957 -1.325 1.00 0.27 O ATOM 1462 CB LEU A 93 -10.682 1.540 -3.002 1.00 0.21 C ATOM 1463 CG LEU A 93 -10.873 0.543 -4.148 1.00 0.23 C ATOM 1464 CD1 LEU A 93 -9.529 0.167 -4.753 1.00 0.23 C ATOM 1465 CD2 LEU A 93 -11.606 -0.702 -3.666 1.00 0.29 C ATOM 0 H LEU A 93 -12.191 1.038 -1.082 1.00 0.27 H new ATOM 0 HA LEU A 93 -9.658 0.006 -1.943 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -11.630 2.046 -2.817 1.00 0.21 H new ATOM 0 HB3 LEU A 93 -9.970 2.303 -3.317 1.00 0.21 H new ATOM 0 HG LEU A 93 -11.481 1.020 -4.917 1.00 0.23 H new ATOM 0 HD11 LEU A 93 -9.682 -0.542 -5.566 1.00 0.23 H new ATOM 0 HD12 LEU A 93 -9.041 1.062 -5.139 1.00 0.23 H new ATOM 0 HD13 LEU A 93 -8.900 -0.288 -3.988 1.00 0.23 H new ATOM 0 HD21 LEU A 93 -11.730 -1.396 -4.497 1.00 0.29 H new ATOM 0 HD22 LEU A 93 -11.028 -1.182 -2.876 1.00 0.29 H new ATOM 0 HD23 LEU A 93 -12.585 -0.421 -3.279 1.00 0.29 H new ATOM 1477 N LYS A 94 -9.759 2.546 0.041 1.00 0.29 N ATOM 1478 CA LYS A 94 -8.932 3.429 0.848 1.00 0.33 C ATOM 1479 C LYS A 94 -7.965 2.584 1.662 1.00 0.34 C ATOM 1480 O LYS A 94 -6.745 2.745 1.574 1.00 0.36 O ATOM 1481 CB LYS A 94 -9.792 4.262 1.800 1.00 0.38 C ATOM 1482 CG LYS A 94 -9.543 5.760 1.715 1.00 0.44 C ATOM 1483 CD LYS A 94 -8.078 6.110 1.922 1.00 0.43 C ATOM 1484 CE LYS A 94 -7.613 5.756 3.324 1.00 0.41 C ATOM 1485 NZ LYS A 94 -6.216 6.205 3.576 1.00 0.48 N ATOM 0 H LYS A 94 -10.740 2.512 0.317 1.00 0.29 H new ATOM 0 HA LYS A 94 -8.390 4.106 0.188 1.00 0.33 H new ATOM 0 HB2 LYS A 94 -10.843 4.067 1.587 1.00 0.38 H new ATOM 0 HB3 LYS A 94 -9.607 3.932 2.822 1.00 0.38 H new ATOM 0 HG2 LYS A 94 -9.868 6.126 0.741 1.00 0.44 H new ATOM 0 HG3 LYS A 94 -10.147 6.270 2.466 1.00 0.44 H new ATOM 0 HD2 LYS A 94 -7.469 5.578 1.191 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -7.929 7.175 1.746 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -8.279 6.215 4.054 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -7.679 4.677 3.467 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -5.831 5.696 4.397 1.00 0.48 H new ATOM 0 HZ2 LYS A 94 -5.631 6.006 2.740 1.00 0.48 H new ATOM 0 HZ3 LYS A 94 -6.209 7.227 3.767 1.00 0.48 H new ATOM 1499 N LYS A 95 -8.528 1.668 2.454 1.00 0.34 N ATOM 1500 CA LYS A 95 -7.723 0.778 3.281 1.00 0.37 C ATOM 1501 C LYS A 95 -6.886 -0.139 2.404 1.00 0.35 C ATOM 1502 O LYS A 95 -5.787 -0.538 2.778 1.00 0.39 O ATOM 1503 CB LYS A 95 -8.606 -0.050 4.213 1.00 0.40 C ATOM 1504 CG LYS A 95 -7.819 -1.015 5.085 1.00 0.50 C ATOM 1505 CD LYS A 95 -8.656 -1.534 6.239 1.00 0.96 C ATOM 1506 CE LYS A 95 -7.847 -2.439 7.154 1.00 1.08 C ATOM 1507 NZ LYS A 95 -8.640 -2.887 8.333 1.00 1.19 N ATOM 0 H LYS A 95 -9.535 1.527 2.537 1.00 0.34 H new ATOM 0 HA LYS A 95 -7.060 1.390 3.892 1.00 0.37 H new ATOM 0 HB2 LYS A 95 -9.179 0.622 4.852 1.00 0.40 H new ATOM 0 HB3 LYS A 95 -9.325 -0.613 3.617 1.00 0.40 H new ATOM 0 HG2 LYS A 95 -7.472 -1.853 4.480 1.00 0.50 H new ATOM 0 HG3 LYS A 95 -6.932 -0.515 5.474 1.00 0.50 H new ATOM 0 HD2 LYS A 95 -9.048 -0.694 6.812 1.00 0.96 H new ATOM 0 HD3 LYS A 95 -9.514 -2.082 5.849 1.00 0.96 H new ATOM 0 HE2 LYS A 95 -7.505 -3.310 6.594 1.00 1.08 H new ATOM 0 HE3 LYS A 95 -6.957 -1.909 7.495 1.00 1.08 H new ATOM 0 HZ1 LYS A 95 -8.053 -3.502 8.932 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -8.945 -2.058 8.882 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -9.476 -3.414 8.009 1.00 1.19 H new ATOM 1521 N GLN A 96 -7.418 -0.482 1.238 1.00 0.30 N ATOM 1522 CA GLN A 96 -6.698 -1.336 0.310 1.00 0.30 C ATOM 1523 C GLN A 96 -5.532 -0.571 -0.289 1.00 0.31 C ATOM 1524 O GLN A 96 -4.442 -1.109 -0.428 1.00 0.35 O ATOM 1525 CB GLN A 96 -7.620 -1.848 -0.797 1.00 0.29 C ATOM 1526 CG GLN A 96 -8.469 -3.035 -0.375 1.00 0.33 C ATOM 1527 CD GLN A 96 -7.639 -4.202 0.124 1.00 0.57 C ATOM 1528 OE1 GLN A 96 -6.506 -4.404 -0.314 1.00 1.01 O ATOM 1529 NE2 GLN A 96 -8.198 -4.977 1.045 1.00 1.11 N ATOM 0 H GLN A 96 -8.339 -0.183 0.916 1.00 0.30 H new ATOM 0 HA GLN A 96 -6.321 -2.200 0.857 1.00 0.30 H new ATOM 0 HB2 GLN A 96 -8.275 -1.038 -1.117 1.00 0.29 H new ATOM 0 HB3 GLN A 96 -7.017 -2.131 -1.660 1.00 0.29 H new ATOM 0 HG2 GLN A 96 -9.158 -2.723 0.410 1.00 0.33 H new ATOM 0 HG3 GLN A 96 -9.075 -3.361 -1.220 1.00 0.33 H new ATOM 0 HE21 GLN A 96 -9.140 -4.773 1.380 1.00 1.11 H new ATOM 0 HE22 GLN A 96 -7.686 -5.777 1.418 1.00 1.11 H new ATOM 1538 N TYR A 97 -5.764 0.697 -0.616 1.00 0.30 N ATOM 1539 CA TYR A 97 -4.724 1.536 -1.198 1.00 0.32 C ATOM 1540 C TYR A 97 -3.558 1.680 -0.231 1.00 0.36 C ATOM 1541 O TYR A 97 -2.399 1.506 -0.609 1.00 0.41 O ATOM 1542 CB TYR A 97 -5.296 2.915 -1.547 1.00 0.33 C ATOM 1543 CG TYR A 97 -4.252 3.998 -1.713 1.00 0.32 C ATOM 1544 CD1 TYR A 97 -3.610 4.192 -2.930 1.00 0.37 C ATOM 1545 CD2 TYR A 97 -3.913 4.831 -0.653 1.00 0.33 C ATOM 1546 CE1 TYR A 97 -2.658 5.182 -3.084 1.00 0.38 C ATOM 1547 CE2 TYR A 97 -2.963 5.823 -0.800 1.00 0.36 C ATOM 1548 CZ TYR A 97 -2.339 5.995 -2.016 1.00 0.36 C ATOM 1549 OH TYR A 97 -1.393 6.983 -2.165 1.00 0.41 O ATOM 0 H TYR A 97 -6.662 1.164 -0.488 1.00 0.30 H new ATOM 0 HA TYR A 97 -4.362 1.063 -2.111 1.00 0.32 H new ATOM 0 HB2 TYR A 97 -5.869 2.835 -2.471 1.00 0.33 H new ATOM 0 HB3 TYR A 97 -5.993 3.215 -0.764 1.00 0.33 H new ATOM 0 HD1 TYR A 97 -3.859 3.559 -3.769 1.00 0.37 H new ATOM 0 HD2 TYR A 97 -4.401 4.700 0.302 1.00 0.33 H new ATOM 0 HE1 TYR A 97 -2.166 5.319 -4.036 1.00 0.38 H new ATOM 0 HE2 TYR A 97 -2.711 6.461 0.034 1.00 0.36 H new ATOM 0 HH TYR A 97 -1.288 7.465 -1.318 1.00 0.41 H new ATOM 1559 N ILE A 98 -3.866 1.982 1.025 1.00 0.37 N ATOM 1560 CA ILE A 98 -2.826 2.131 2.029 1.00 0.42 C ATOM 1561 C ILE A 98 -2.147 0.789 2.287 1.00 0.41 C ATOM 1562 O ILE A 98 -0.925 0.688 2.279 1.00 0.41 O ATOM 1563 CB ILE A 98 -3.379 2.712 3.347 1.00 0.44 C ATOM 1564 CG1 ILE A 98 -4.566 1.891 3.841 1.00 0.41 C ATOM 1565 CG2 ILE A 98 -3.768 4.172 3.155 1.00 0.47 C ATOM 1566 CD1 ILE A 98 -5.224 2.452 5.086 1.00 0.44 C ATOM 0 H ILE A 98 -4.816 2.126 1.367 1.00 0.37 H new ATOM 0 HA ILE A 98 -2.092 2.837 1.641 1.00 0.42 H new ATOM 0 HB ILE A 98 -2.598 2.661 4.106 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -5.309 1.829 3.046 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -4.232 0.874 4.045 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -4.157 4.571 4.092 1.00 0.47 H new ATOM 0 HG22 ILE A 98 -2.892 4.745 2.852 1.00 0.47 H new ATOM 0 HG23 ILE A 98 -4.534 4.246 2.383 1.00 0.47 H new ATOM 0 HD11 ILE A 98 -6.059 1.814 5.375 1.00 0.44 H new ATOM 0 HD12 ILE A 98 -4.497 2.488 5.897 1.00 0.44 H new ATOM 0 HD13 ILE A 98 -5.590 3.458 4.882 1.00 0.44 H new ATOM 1578 N GLN A 99 -2.949 -0.252 2.480 1.00 0.44 N ATOM 1579 CA GLN A 99 -2.418 -1.586 2.727 1.00 0.45 C ATOM 1580 C GLN A 99 -1.703 -2.122 1.488 1.00 0.47 C ATOM 1581 O GLN A 99 -0.922 -3.069 1.573 1.00 0.52 O ATOM 1582 CB GLN A 99 -3.542 -2.544 3.137 1.00 0.42 C ATOM 1583 CG GLN A 99 -4.099 -2.276 4.528 1.00 0.43 C ATOM 1584 CD GLN A 99 -3.068 -2.495 5.618 1.00 1.26 C ATOM 1585 OE1 GLN A 99 -2.351 -1.573 6.004 1.00 2.14 O ATOM 1586 NE2 GLN A 99 -2.987 -3.724 6.116 1.00 1.84 N ATOM 0 H GLN A 99 -3.967 -0.198 2.470 1.00 0.44 H new ATOM 0 HA GLN A 99 -1.698 -1.517 3.542 1.00 0.45 H new ATOM 0 HB2 GLN A 99 -4.352 -2.471 2.411 1.00 0.42 H new ATOM 0 HB3 GLN A 99 -3.168 -3.567 3.096 1.00 0.42 H new ATOM 0 HG2 GLN A 99 -4.464 -1.250 4.578 1.00 0.43 H new ATOM 0 HG3 GLN A 99 -4.954 -2.928 4.705 1.00 0.43 H new ATOM 0 HE21 GLN A 99 -3.602 -4.458 5.765 1.00 1.84 H new ATOM 0 HE22 GLN A 99 -2.310 -3.934 6.849 1.00 1.84 H new ATOM 1595 N CYS A 100 -1.977 -1.510 0.336 1.00 0.45 N ATOM 1596 CA CYS A 100 -1.376 -1.945 -0.921 1.00 0.49 C ATOM 1597 C CYS A 100 -0.032 -1.275 -1.191 1.00 0.60 C ATOM 1598 O CYS A 100 0.878 -1.915 -1.718 1.00 0.72 O ATOM 1599 CB CYS A 100 -2.318 -1.664 -2.092 1.00 0.43 C ATOM 1600 SG CYS A 100 -1.756 -2.342 -3.671 1.00 0.55 S ATOM 0 H CYS A 100 -2.609 -0.714 0.249 1.00 0.45 H new ATOM 0 HA CYS A 100 -1.205 -3.017 -0.826 1.00 0.49 H new ATOM 0 HB2 CYS A 100 -3.300 -2.076 -1.861 1.00 0.43 H new ATOM 0 HB3 CYS A 100 -2.441 -0.586 -2.195 1.00 0.43 H new ATOM 0 HG CYS A 100 -2.709 -2.242 -4.550 1.00 0.55 H new ATOM 1606 N LEU A 101 0.107 0.006 -0.844 1.00 0.63 N ATOM 1607 CA LEU A 101 1.363 0.700 -1.119 1.00 0.81 C ATOM 1608 C LEU A 101 1.736 1.765 -0.082 1.00 0.75 C ATOM 1609 O LEU A 101 2.286 2.799 -0.442 1.00 0.85 O ATOM 1610 CB LEU A 101 1.307 1.340 -2.510 1.00 1.26 C ATOM 1611 CG LEU A 101 0.137 2.295 -2.749 1.00 0.67 C ATOM 1612 CD1 LEU A 101 0.513 3.355 -3.774 1.00 1.58 C ATOM 1613 CD2 LEU A 101 -1.086 1.526 -3.214 1.00 1.42 C ATOM 0 H LEU A 101 -0.611 0.568 -0.386 1.00 0.63 H new ATOM 0 HA LEU A 101 2.142 -0.061 -1.068 1.00 0.81 H new ATOM 0 HB2 LEU A 101 2.237 1.883 -2.678 1.00 1.26 H new ATOM 0 HB3 LEU A 101 1.263 0.545 -3.255 1.00 1.26 H new ATOM 0 HG LEU A 101 -0.099 2.792 -1.808 1.00 0.67 H new ATOM 0 HD11 LEU A 101 -0.332 4.025 -3.931 1.00 1.58 H new ATOM 0 HD12 LEU A 101 1.367 3.927 -3.410 1.00 1.58 H new ATOM 0 HD13 LEU A 101 0.774 2.873 -4.716 1.00 1.58 H new ATOM 0 HD21 LEU A 101 -1.910 2.219 -3.380 1.00 1.42 H new ATOM 0 HD22 LEU A 101 -0.857 1.006 -4.144 1.00 1.42 H new ATOM 0 HD23 LEU A 101 -1.370 0.800 -2.453 1.00 1.42 H new ATOM 1625 N TYR A 102 1.450 1.538 1.196 1.00 0.74 N ATOM 1626 CA TYR A 102 1.837 2.516 2.215 1.00 0.90 C ATOM 1627 C TYR A 102 3.351 2.526 2.346 1.00 0.96 C ATOM 1628 O TYR A 102 3.971 3.578 2.504 1.00 1.13 O ATOM 1629 CB TYR A 102 1.182 2.211 3.567 1.00 0.98 C ATOM 1630 CG TYR A 102 1.115 3.403 4.495 1.00 1.21 C ATOM 1631 CD1 TYR A 102 2.252 3.852 5.157 1.00 1.75 C ATOM 1632 CD2 TYR A 102 -0.080 4.080 4.709 1.00 0.96 C ATOM 1633 CE1 TYR A 102 2.198 4.941 6.007 1.00 1.99 C ATOM 1634 CE2 TYR A 102 -0.140 5.170 5.557 1.00 1.21 C ATOM 1635 CZ TYR A 102 0.985 5.597 6.201 1.00 1.70 C ATOM 1636 OH TYR A 102 0.945 6.679 7.049 1.00 1.96 O ATOM 0 H TYR A 102 0.966 0.712 1.547 1.00 0.74 H new ATOM 0 HA TYR A 102 1.488 3.501 1.903 1.00 0.90 H new ATOM 0 HB2 TYR A 102 0.172 1.839 3.395 1.00 0.98 H new ATOM 0 HB3 TYR A 102 1.737 1.411 4.057 1.00 0.98 H new ATOM 0 HD1 TYR A 102 3.192 3.342 5.005 1.00 1.75 H new ATOM 0 HD2 TYR A 102 -0.976 3.749 4.205 1.00 0.96 H new ATOM 0 HE1 TYR A 102 3.088 5.280 6.516 1.00 1.99 H new ATOM 0 HE2 TYR A 102 -1.077 5.684 5.710 1.00 1.21 H new ATOM 0 HH TYR A 102 0.032 7.034 7.083 1.00 1.96 H new ATOM 1646 N ALA A 103 3.936 1.338 2.282 1.00 0.96 N ATOM 1647 CA ALA A 103 5.378 1.185 2.351 1.00 1.15 C ATOM 1648 C ALA A 103 6.020 1.808 1.121 1.00 1.04 C ATOM 1649 O ALA A 103 7.164 2.259 1.159 1.00 1.16 O ATOM 1650 CB ALA A 103 5.763 -0.281 2.473 1.00 1.39 C ATOM 0 H ALA A 103 3.426 0.460 2.181 1.00 0.96 H new ATOM 0 HA ALA A 103 5.742 1.700 3.240 1.00 1.15 H new ATOM 0 HB1 ALA A 103 6.848 -0.369 2.523 1.00 1.39 H new ATOM 0 HB2 ALA A 103 5.323 -0.699 3.379 1.00 1.39 H new ATOM 0 HB3 ALA A 103 5.394 -0.827 1.605 1.00 1.39 H new ATOM 1656 N PHE A 104 5.260 1.823 0.027 1.00 0.87 N ATOM 1657 CA PHE A 104 5.735 2.370 -1.237 1.00 0.87 C ATOM 1658 C PHE A 104 6.207 3.803 -1.065 1.00 0.85 C ATOM 1659 O PHE A 104 7.051 4.265 -1.816 1.00 0.93 O ATOM 1660 CB PHE A 104 4.636 2.271 -2.314 1.00 0.96 C ATOM 1661 CG PHE A 104 4.187 3.583 -2.932 1.00 1.89 C ATOM 1662 CD1 PHE A 104 3.604 4.559 -2.141 1.00 2.80 C ATOM 1663 CD2 PHE A 104 4.359 3.848 -4.285 1.00 2.36 C ATOM 1664 CE1 PHE A 104 3.200 5.765 -2.681 1.00 4.03 C ATOM 1665 CE2 PHE A 104 3.955 5.052 -4.830 1.00 3.48 C ATOM 1666 CZ PHE A 104 3.354 5.969 -4.100 1.00 4.31 C ATOM 0 H PHE A 104 4.308 1.460 -0.006 1.00 0.87 H new ATOM 0 HA PHE A 104 6.589 1.779 -1.568 1.00 0.87 H new ATOM 0 HB2 PHE A 104 4.995 1.621 -3.112 1.00 0.96 H new ATOM 0 HB3 PHE A 104 3.766 1.784 -1.873 1.00 0.96 H new ATOM 0 HD1 PHE A 104 3.463 4.375 -1.086 1.00 2.80 H new ATOM 0 HD2 PHE A 104 4.815 3.103 -4.920 1.00 2.36 H new ATOM 0 HE1 PHE A 104 2.779 6.537 -2.054 1.00 4.03 H new ATOM 0 HE2 PHE A 104 4.136 5.245 -5.877 1.00 3.48 H new ATOM 0 HZ PHE A 104 2.978 6.870 -4.562 1.00 4.31 H new ATOM 1676 N GLU A 105 5.639 4.526 -0.109 1.00 0.90 N ATOM 1677 CA GLU A 105 6.071 5.900 0.112 1.00 1.14 C ATOM 1678 C GLU A 105 7.535 5.940 0.541 1.00 1.25 C ATOM 1679 O GLU A 105 8.325 6.722 0.022 1.00 1.40 O ATOM 1680 CB GLU A 105 5.190 6.588 1.156 1.00 1.31 C ATOM 1681 CG GLU A 105 3.713 6.595 0.799 1.00 1.56 C ATOM 1682 CD GLU A 105 2.854 7.214 1.884 1.00 2.56 C ATOM 1683 OE1 GLU A 105 2.656 8.447 1.855 1.00 2.95 O ATOM 1684 OE2 GLU A 105 2.377 6.465 2.764 1.00 3.26 O ATOM 0 H GLU A 105 4.899 4.197 0.510 1.00 0.90 H new ATOM 0 HA GLU A 105 5.970 6.441 -0.829 1.00 1.14 H new ATOM 0 HB2 GLU A 105 5.321 6.088 2.115 1.00 1.31 H new ATOM 0 HB3 GLU A 105 5.529 7.616 1.284 1.00 1.31 H new ATOM 0 HG2 GLU A 105 3.570 7.146 -0.131 1.00 1.56 H new ATOM 0 HG3 GLU A 105 3.382 5.572 0.618 1.00 1.56 H new ATOM 1691 N CYS A 106 7.898 5.087 1.484 1.00 1.26 N ATOM 1692 CA CYS A 106 9.272 5.030 1.967 1.00 1.44 C ATOM 1693 C CYS A 106 10.182 4.406 0.920 1.00 1.36 C ATOM 1694 O CYS A 106 11.352 4.762 0.793 1.00 1.50 O ATOM 1695 CB CYS A 106 9.345 4.227 3.267 1.00 1.58 C ATOM 1696 SG CYS A 106 10.862 4.489 4.214 1.00 1.89 S ATOM 0 H CYS A 106 7.264 4.425 1.931 1.00 1.26 H new ATOM 0 HA CYS A 106 9.609 6.048 2.160 1.00 1.44 H new ATOM 0 HB2 CYS A 106 8.490 4.488 3.891 1.00 1.58 H new ATOM 0 HB3 CYS A 106 9.255 3.167 3.032 1.00 1.58 H new ATOM 0 HG CYS A 106 10.828 3.769 5.296 1.00 1.89 H new ATOM 1702 N LYS A 107 9.630 3.461 0.183 1.00 1.19 N ATOM 1703 CA LYS A 107 10.372 2.746 -0.840 1.00 1.19 C ATOM 1704 C LYS A 107 10.568 3.550 -2.129 1.00 1.18 C ATOM 1705 O LYS A 107 11.617 3.446 -2.761 1.00 1.25 O ATOM 1706 CB LYS A 107 9.642 1.446 -1.166 1.00 1.17 C ATOM 1707 CG LYS A 107 10.270 0.653 -2.303 1.00 1.31 C ATOM 1708 CD LYS A 107 9.492 -0.620 -2.596 1.00 1.24 C ATOM 1709 CE LYS A 107 8.085 -0.321 -3.080 1.00 2.00 C ATOM 1710 NZ LYS A 107 7.352 -1.561 -3.454 1.00 2.84 N ATOM 0 H LYS A 107 8.658 3.167 0.275 1.00 1.19 H new ATOM 0 HA LYS A 107 11.366 2.555 -0.435 1.00 1.19 H new ATOM 0 HB2 LYS A 107 9.616 0.822 -0.273 1.00 1.17 H new ATOM 0 HB3 LYS A 107 8.609 1.676 -1.425 1.00 1.17 H new ATOM 0 HG2 LYS A 107 10.308 1.271 -3.200 1.00 1.31 H new ATOM 0 HG3 LYS A 107 11.299 0.400 -2.046 1.00 1.31 H new ATOM 0 HD2 LYS A 107 10.020 -1.203 -3.351 1.00 1.24 H new ATOM 0 HD3 LYS A 107 9.444 -1.232 -1.696 1.00 1.24 H new ATOM 0 HE2 LYS A 107 7.536 0.204 -2.298 1.00 2.00 H new ATOM 0 HE3 LYS A 107 8.131 0.347 -3.940 1.00 2.00 H new ATOM 0 HZ1 LYS A 107 6.557 -1.319 -4.079 1.00 2.84 H new ATOM 0 HZ2 LYS A 107 7.997 -2.209 -3.949 1.00 2.84 H new ATOM 0 HZ3 LYS A 107 6.989 -2.022 -2.595 1.00 2.84 H new ATOM 1724 N ILE A 108 9.560 4.323 -2.538 1.00 1.14 N ATOM 1725 CA ILE A 108 9.646 5.057 -3.801 1.00 1.20 C ATOM 1726 C ILE A 108 10.158 6.503 -3.689 1.00 1.36 C ATOM 1727 O ILE A 108 10.987 6.923 -4.495 1.00 1.39 O ATOM 1728 CB ILE A 108 8.275 5.069 -4.509 1.00 1.14 C ATOM 1729 CG1 ILE A 108 7.703 3.648 -4.600 1.00 1.21 C ATOM 1730 CG2 ILE A 108 8.387 5.687 -5.893 1.00 1.42 C ATOM 1731 CD1 ILE A 108 8.440 2.736 -5.559 1.00 1.07 C ATOM 0 H ILE A 108 8.689 4.456 -2.023 1.00 1.14 H new ATOM 0 HA ILE A 108 10.393 4.515 -4.381 1.00 1.20 H new ATOM 0 HB ILE A 108 7.593 5.679 -3.917 1.00 1.14 H new ATOM 0 HG12 ILE A 108 7.718 3.199 -3.607 1.00 1.21 H new ATOM 0 HG13 ILE A 108 6.659 3.709 -4.906 1.00 1.21 H new ATOM 0 HG21 ILE A 108 7.408 5.685 -6.373 1.00 1.42 H new ATOM 0 HG22 ILE A 108 8.746 6.713 -5.806 1.00 1.42 H new ATOM 0 HG23 ILE A 108 9.087 5.108 -6.495 1.00 1.42 H new ATOM 0 HD11 ILE A 108 7.969 1.753 -5.561 1.00 1.07 H new ATOM 0 HD12 ILE A 108 8.403 3.158 -6.563 1.00 1.07 H new ATOM 0 HD13 ILE A 108 9.479 2.640 -5.244 1.00 1.07 H new ATOM 1743 N GLU A 109 9.664 7.272 -2.716 1.00 1.53 N ATOM 1744 CA GLU A 109 10.074 8.679 -2.595 1.00 1.75 C ATOM 1745 C GLU A 109 11.115 8.968 -1.508 1.00 1.94 C ATOM 1746 O GLU A 109 12.037 9.749 -1.741 1.00 1.93 O ATOM 1747 CB GLU A 109 8.848 9.573 -2.398 1.00 2.21 C ATOM 1748 CG GLU A 109 7.848 9.038 -1.391 1.00 2.67 C ATOM 1749 CD GLU A 109 6.557 9.828 -1.388 1.00 3.61 C ATOM 1750 OE1 GLU A 109 6.013 10.074 -2.484 1.00 4.40 O ATOM 1751 OE2 GLU A 109 6.091 10.202 -0.291 1.00 3.70 O ATOM 0 H GLU A 109 8.995 6.957 -2.014 1.00 1.53 H new ATOM 0 HA GLU A 109 10.573 8.908 -3.536 1.00 1.75 H new ATOM 0 HB2 GLU A 109 9.179 10.560 -2.076 1.00 2.21 H new ATOM 0 HB3 GLU A 109 8.348 9.702 -3.358 1.00 2.21 H new ATOM 0 HG2 GLU A 109 7.632 7.994 -1.617 1.00 2.67 H new ATOM 0 HG3 GLU A 109 8.290 9.064 -0.395 1.00 2.67 H new ATOM 1758 N ARG A 110 10.963 8.357 -0.330 1.00 2.33 N ATOM 1759 CA ARG A 110 11.873 8.596 0.803 1.00 2.84 C ATOM 1760 C ARG A 110 13.309 8.881 0.359 1.00 2.84 C ATOM 1761 O ARG A 110 13.679 10.034 0.132 1.00 3.18 O ATOM 1762 CB ARG A 110 11.850 7.410 1.768 1.00 3.59 C ATOM 1763 CG ARG A 110 12.170 7.776 3.211 1.00 4.30 C ATOM 1764 CD ARG A 110 13.647 8.090 3.401 1.00 5.11 C ATOM 1765 NE ARG A 110 13.948 8.515 4.767 1.00 6.04 N ATOM 1766 CZ ARG A 110 15.154 8.909 5.166 1.00 6.84 C ATOM 1767 NH1 ARG A 110 16.168 8.919 4.312 1.00 6.92 N ATOM 1768 NH2 ARG A 110 15.348 9.291 6.421 1.00 7.79 N ATOM 0 H ARG A 110 10.217 7.690 -0.132 1.00 2.33 H new ATOM 0 HA ARG A 110 11.510 9.489 1.312 1.00 2.84 H new ATOM 0 HB2 ARG A 110 10.865 6.945 1.732 1.00 3.59 H new ATOM 0 HB3 ARG A 110 12.567 6.663 1.426 1.00 3.59 H new ATOM 0 HG2 ARG A 110 11.574 8.639 3.508 1.00 4.30 H new ATOM 0 HG3 ARG A 110 11.886 6.952 3.866 1.00 4.30 H new ATOM 0 HD2 ARG A 110 14.239 7.208 3.158 1.00 5.11 H new ATOM 0 HD3 ARG A 110 13.943 8.874 2.704 1.00 5.11 H new ATOM 0 HE ARG A 110 13.192 8.509 5.451 1.00 6.04 H new ATOM 0 HH11 ARG A 110 16.024 8.624 3.346 1.00 6.92 H new ATOM 0 HH12 ARG A 110 17.092 9.222 4.621 1.00 6.92 H new ATOM 0 HH21 ARG A 110 14.572 9.283 7.082 1.00 7.79 H new ATOM 0 HH22 ARG A 110 16.274 9.593 6.725 1.00 7.79 H new ATOM 1782 N GLY A 111 14.119 7.833 0.256 1.00 3.09 N ATOM 1783 CA GLY A 111 15.500 8.004 -0.157 1.00 3.57 C ATOM 1784 C GLY A 111 15.770 7.358 -1.496 1.00 3.37 C ATOM 1785 O GLY A 111 16.594 6.449 -1.601 1.00 3.90 O ATOM 0 H GLY A 111 13.845 6.870 0.451 1.00 3.09 H new ATOM 0 HA2 GLY A 111 15.734 9.067 -0.213 1.00 3.57 H new ATOM 0 HA3 GLY A 111 16.160 7.572 0.595 1.00 3.57 H new ATOM 1789 N GLU A 112 15.078 7.833 -2.524 1.00 2.96 N ATOM 1790 CA GLU A 112 15.227 7.282 -3.862 1.00 3.23 C ATOM 1791 C GLU A 112 15.547 8.371 -4.882 1.00 3.81 C ATOM 1792 O GLU A 112 16.211 8.114 -5.888 1.00 4.33 O ATOM 1793 CB GLU A 112 13.945 6.554 -4.260 1.00 2.71 C ATOM 1794 CG GLU A 112 13.369 5.682 -3.152 1.00 2.52 C ATOM 1795 CD GLU A 112 14.346 4.628 -2.666 1.00 3.43 C ATOM 1796 OE1 GLU A 112 14.771 3.789 -3.487 1.00 4.13 O ATOM 1797 OE2 GLU A 112 14.687 4.644 -1.464 1.00 3.75 O ATOM 0 H GLU A 112 14.408 8.599 -2.455 1.00 2.96 H new ATOM 0 HA GLU A 112 16.061 6.581 -3.851 1.00 3.23 H new ATOM 0 HB2 GLU A 112 13.197 7.289 -4.558 1.00 2.71 H new ATOM 0 HB3 GLU A 112 14.146 5.932 -5.132 1.00 2.71 H new ATOM 0 HG2 GLU A 112 13.076 6.314 -2.313 1.00 2.52 H new ATOM 0 HG3 GLU A 112 12.464 5.193 -3.514 1.00 2.52 H new ATOM 1804 N ASP A 113 15.070 9.583 -4.620 1.00 4.16 N ATOM 1805 CA ASP A 113 15.302 10.710 -5.517 1.00 4.98 C ATOM 1806 C ASP A 113 16.799 10.928 -5.748 1.00 5.17 C ATOM 1807 O ASP A 113 17.617 10.610 -4.884 1.00 5.40 O ATOM 1808 CB ASP A 113 14.670 11.981 -4.944 1.00 5.30 C ATOM 1809 CG ASP A 113 13.162 11.878 -4.841 1.00 6.34 C ATOM 1810 OD1 ASP A 113 12.672 11.251 -3.878 1.00 6.92 O ATOM 1811 OD2 ASP A 113 12.469 12.424 -5.726 1.00 6.77 O ATOM 0 H ASP A 113 14.519 9.811 -3.792 1.00 4.16 H new ATOM 0 HA ASP A 113 14.837 10.481 -6.476 1.00 4.98 H new ATOM 0 HB2 ASP A 113 15.087 12.178 -3.956 1.00 5.30 H new ATOM 0 HB3 ASP A 113 14.932 12.830 -5.575 1.00 5.30 H new ATOM 1816 N PRO A 114 17.178 11.471 -6.922 1.00 5.29 N ATOM 1817 CA PRO A 114 18.584 11.724 -7.255 1.00 5.63 C ATOM 1818 C PRO A 114 19.171 12.880 -6.444 1.00 6.02 C ATOM 1819 O PRO A 114 18.584 13.961 -6.386 1.00 6.48 O ATOM 1820 CB PRO A 114 18.538 12.085 -8.741 1.00 5.90 C ATOM 1821 CG PRO A 114 17.171 12.635 -8.953 1.00 5.86 C ATOM 1822 CD PRO A 114 16.271 11.882 -8.013 1.00 5.38 C ATOM 0 HA PRO A 114 19.217 10.866 -7.031 1.00 5.63 H new ATOM 0 HB2 PRO A 114 19.304 12.818 -8.994 1.00 5.90 H new ATOM 0 HB3 PRO A 114 18.715 11.210 -9.367 1.00 5.90 H new ATOM 0 HG2 PRO A 114 17.144 13.705 -8.746 1.00 5.86 H new ATOM 0 HG3 PRO A 114 16.853 12.503 -9.987 1.00 5.86 H new ATOM 0 HD2 PRO A 114 15.459 12.510 -7.645 1.00 5.38 H new ATOM 0 HD3 PRO A 114 15.813 11.021 -8.500 1.00 5.38 H new ATOM 1830 N PRO A 115 20.340 12.673 -5.805 1.00 6.12 N ATOM 1831 CA PRO A 115 20.986 13.710 -4.998 1.00 6.70 C ATOM 1832 C PRO A 115 21.726 14.736 -5.855 1.00 7.65 C ATOM 1833 O PRO A 115 22.182 14.420 -6.954 1.00 8.07 O ATOM 1834 CB PRO A 115 21.970 12.914 -4.145 1.00 6.80 C ATOM 1835 CG PRO A 115 22.346 11.752 -4.998 1.00 6.57 C ATOM 1836 CD PRO A 115 21.124 11.419 -5.816 1.00 6.02 C ATOM 0 HA PRO A 115 20.268 14.293 -4.421 1.00 6.70 H new ATOM 0 HB2 PRO A 115 22.842 13.512 -3.882 1.00 6.80 H new ATOM 0 HB3 PRO A 115 21.513 12.589 -3.210 1.00 6.80 H new ATOM 0 HG2 PRO A 115 23.190 11.999 -5.642 1.00 6.57 H new ATOM 0 HG3 PRO A 115 22.649 10.902 -4.387 1.00 6.57 H new ATOM 0 HD2 PRO A 115 21.390 11.123 -6.831 1.00 6.02 H new ATOM 0 HD3 PRO A 115 20.563 10.593 -5.379 1.00 6.02 H new ATOM 1844 N PRO A 116 21.853 15.985 -5.365 1.00 8.23 N ATOM 1845 CA PRO A 116 22.543 17.048 -6.085 1.00 9.31 C ATOM 1846 C PRO A 116 24.043 17.048 -5.810 1.00 9.94 C ATOM 1847 O PRO A 116 24.719 18.060 -5.996 1.00 10.77 O ATOM 1848 CB PRO A 116 21.892 18.302 -5.513 1.00 9.77 C ATOM 1849 CG PRO A 116 21.603 17.948 -4.094 1.00 9.23 C ATOM 1850 CD PRO A 116 21.331 16.462 -4.069 1.00 8.14 C ATOM 0 HA PRO A 116 22.457 16.952 -7.167 1.00 9.31 H new ATOM 0 HB2 PRO A 116 22.557 19.163 -5.581 1.00 9.77 H new ATOM 0 HB3 PRO A 116 20.981 18.560 -6.053 1.00 9.77 H new ATOM 0 HG2 PRO A 116 22.448 18.199 -3.452 1.00 9.23 H new ATOM 0 HG3 PRO A 116 20.744 18.506 -3.722 1.00 9.23 H new ATOM 0 HD2 PRO A 116 21.835 15.977 -3.232 1.00 8.14 H new ATOM 0 HD3 PRO A 116 20.266 16.252 -3.965 1.00 8.14 H new ATOM 1858 N ASP A 117 24.550 15.901 -5.362 1.00 9.71 N ATOM 1859 CA ASP A 117 25.969 15.754 -5.050 1.00 10.46 C ATOM 1860 C ASP A 117 26.376 16.706 -3.930 1.00 11.09 C ATOM 1861 O ASP A 117 27.131 17.654 -4.146 1.00 12.07 O ATOM 1862 CB ASP A 117 26.821 16.004 -6.297 1.00 11.26 C ATOM 1863 CG ASP A 117 28.285 15.667 -6.080 1.00 11.99 C ATOM 1864 OD1 ASP A 117 28.656 14.488 -6.261 1.00 12.06 O ATOM 1865 OD2 ASP A 117 29.059 16.582 -5.729 1.00 12.59 O ATOM 0 H ASP A 117 23.997 15.058 -5.207 1.00 9.71 H new ATOM 0 HA ASP A 117 26.140 14.732 -4.712 1.00 10.46 H new ATOM 0 HB2 ASP A 117 26.433 15.408 -7.123 1.00 11.26 H new ATOM 0 HB3 ASP A 117 26.732 17.050 -6.590 1.00 11.26 H new ATOM 1870 N ILE A 118 25.860 16.447 -2.732 1.00 10.65 N ATOM 1871 CA ILE A 118 26.164 17.273 -1.569 1.00 11.40 C ATOM 1872 C ILE A 118 27.261 16.638 -0.720 1.00 11.83 C ATOM 1873 O ILE A 118 27.319 15.415 -0.584 1.00 11.94 O ATOM 1874 CB ILE A 118 24.907 17.494 -0.701 1.00 11.08 C ATOM 1875 CG1 ILE A 118 25.236 18.381 0.503 1.00 12.09 C ATOM 1876 CG2 ILE A 118 24.335 16.157 -0.248 1.00 10.32 C ATOM 1877 CD1 ILE A 118 24.017 18.809 1.291 1.00 12.08 C ATOM 0 H ILE A 118 25.228 15.669 -2.542 1.00 10.65 H new ATOM 0 HA ILE A 118 26.513 18.237 -1.938 1.00 11.40 H new ATOM 0 HB ILE A 118 24.153 18.003 -1.302 1.00 11.08 H new ATOM 0 HG12 ILE A 118 25.916 17.844 1.164 1.00 12.09 H new ATOM 0 HG13 ILE A 118 25.764 19.269 0.156 1.00 12.09 H new ATOM 0 HG21 ILE A 118 23.449 16.329 0.363 1.00 10.32 H new ATOM 0 HG22 ILE A 118 24.064 15.563 -1.121 1.00 10.32 H new ATOM 0 HG23 ILE A 118 25.082 15.622 0.338 1.00 10.32 H new ATOM 0 HD11 ILE A 118 24.326 19.434 2.128 1.00 12.08 H new ATOM 0 HD12 ILE A 118 23.346 19.374 0.644 1.00 12.08 H new ATOM 0 HD13 ILE A 118 23.500 17.927 1.669 1.00 12.08 H new ATOM 1889 N PHE A 119 28.129 17.475 -0.156 1.00 12.27 N ATOM 1890 CA PHE A 119 29.230 16.995 0.676 1.00 12.90 C ATOM 1891 C PHE A 119 30.146 16.066 -0.112 1.00 12.45 C ATOM 1892 O PHE A 119 30.013 15.935 -1.329 1.00 12.29 O ATOM 1893 CB PHE A 119 28.693 16.277 1.917 1.00 13.53 C ATOM 1894 CG PHE A 119 28.666 17.140 3.148 1.00 14.30 C ATOM 1895 CD1 PHE A 119 27.826 18.240 3.220 1.00 14.59 C ATOM 1896 CD2 PHE A 119 29.481 16.852 4.231 1.00 14.84 C ATOM 1897 CE1 PHE A 119 27.799 19.035 4.350 1.00 15.41 C ATOM 1898 CE2 PHE A 119 29.459 17.645 5.363 1.00 15.66 C ATOM 1899 CZ PHE A 119 28.618 18.738 5.423 1.00 15.96 C ATOM 0 H PHE A 119 28.091 18.489 -0.260 1.00 12.27 H new ATOM 0 HA PHE A 119 29.811 17.861 0.994 1.00 12.90 H new ATOM 0 HB2 PHE A 119 27.684 15.920 1.712 1.00 13.53 H new ATOM 0 HB3 PHE A 119 29.308 15.399 2.113 1.00 13.53 H new ATOM 0 HD1 PHE A 119 27.185 18.478 2.384 1.00 14.59 H new ATOM 0 HD2 PHE A 119 30.141 15.998 4.190 1.00 14.84 H new ATOM 0 HE1 PHE A 119 27.138 19.888 4.395 1.00 15.41 H new ATOM 0 HE2 PHE A 119 30.099 17.410 6.200 1.00 15.66 H new ATOM 0 HZ PHE A 119 28.600 19.359 6.306 1.00 15.96 H new ATOM 1909 N ALA A 120 31.079 15.428 0.591 1.00 12.44 N ATOM 1910 CA ALA A 120 32.022 14.512 -0.039 1.00 12.26 C ATOM 1911 C ALA A 120 32.890 15.236 -1.062 1.00 12.67 C ATOM 1912 O ALA A 120 33.956 15.757 -0.670 1.00 13.33 O ATOM 1913 CB ALA A 120 31.277 13.358 -0.694 1.00 12.38 C ATOM 1914 OXT ALA A 120 32.498 15.280 -2.248 1.00 12.49 O ATOM 0 H ALA A 120 31.201 15.530 1.599 1.00 12.44 H new ATOM 0 HA ALA A 120 32.678 14.113 0.735 1.00 12.26 H new ATOM 0 HB1 ALA A 120 31.993 12.681 -1.161 1.00 12.38 H new ATOM 0 HB2 ALA A 120 30.706 12.818 0.061 1.00 12.38 H new ATOM 0 HB3 ALA A 120 30.598 13.747 -1.452 1.00 12.38 H new TER 1920 ALA A 120