USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 631 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 26 GLN : amide:sc= 1.41 X(o=3.7,f=3.4) USER MOD Set 1.2: A 47 SER OG : rot 77:sc= 1.06 USER MOD Set 1.3: A 67 TYR OH : rot -175:sc= 1.21 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.851 (180deg=0.122) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -118:sc= 0.114 USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.285 (180deg=-0.724) USER MOD Single : A 7 GLN : amide:sc= -0.522 K(o=-0.52,f=-2.2!) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= -0.0226 (180deg=-0.207) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0.602 (180deg=0.216) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.27) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0384) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00716 USER MOD Single : A 25 SER OG : rot -81:sc= 1.09 USER MOD Single : A 34 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.089) USER MOD Single : A 42 ASN : amide:sc= 0.621 K(o=0.62,f=-5.3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -154:sc= -0.16 (180deg=-2.31) USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.759 USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= -0.0532 (180deg=-0.333) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.506 K(o=0.51,f=-5.7!) USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= -0.232 (180deg=-0.986) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 164:sc=-0.00651 (180deg=-0.126) USER MOD Single : A 68 CYS SG : rot -17:sc= -3.31 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.187 -0.785 13.911 1.00 10.84 N ATOM 2 CA MET A 1 -10.183 -1.969 13.012 1.00 10.16 C ATOM 3 C MET A 1 -11.222 -3.002 13.457 1.00 9.27 C ATOM 4 O MET A 1 -11.873 -2.840 14.494 1.00 9.22 O ATOM 5 CB MET A 1 -8.771 -2.591 13.004 1.00 10.59 C ATOM 6 CG MET A 1 -7.699 -1.693 12.391 1.00 11.48 C ATOM 7 SD MET A 1 -6.934 -0.583 13.593 1.00 11.94 S ATOM 8 CE MET A 1 -5.843 0.368 12.534 1.00 12.56 C ATOM 0 H1 MET A 1 -9.208 -0.493 14.105 1.00 10.84 H new ATOM 0 H2 MET A 1 -10.697 -0.003 13.453 1.00 10.84 H new ATOM 0 H3 MET A 1 -10.659 -1.029 14.805 1.00 10.84 H new ATOM 0 HA MET A 1 -10.448 -1.650 12.004 1.00 10.16 H new ATOM 0 HB2 MET A 1 -8.486 -2.832 14.028 1.00 10.59 H new ATOM 0 HB3 MET A 1 -8.802 -3.530 12.452 1.00 10.59 H new ATOM 0 HG2 MET A 1 -6.928 -2.315 11.938 1.00 11.48 H new ATOM 0 HG3 MET A 1 -8.143 -1.102 11.590 1.00 11.48 H new ATOM 0 HE1 MET A 1 -5.300 1.098 13.134 1.00 12.56 H new ATOM 0 HE2 MET A 1 -5.134 -0.302 12.047 1.00 12.56 H new ATOM 0 HE3 MET A 1 -6.431 0.886 11.777 1.00 12.56 H new ATOM 20 N ARG A 2 -11.352 -4.074 12.668 1.00 8.82 N ATOM 21 CA ARG A 2 -12.307 -5.166 12.931 1.00 8.17 C ATOM 22 C ARG A 2 -13.760 -4.692 12.792 1.00 7.58 C ATOM 23 O ARG A 2 -14.556 -4.780 13.733 1.00 7.72 O ATOM 24 CB ARG A 2 -12.072 -5.810 14.311 1.00 8.58 C ATOM 25 CG ARG A 2 -10.632 -6.239 14.562 1.00 9.29 C ATOM 26 CD ARG A 2 -10.106 -7.133 13.448 1.00 9.46 C ATOM 27 NE ARG A 2 -8.836 -7.765 13.815 1.00 9.75 N ATOM 28 CZ ARG A 2 -8.128 -8.558 13.008 1.00 10.18 C ATOM 29 NH1 ARG A 2 -8.565 -8.837 11.785 1.00 10.36 N ATOM 30 NH2 ARG A 2 -6.993 -9.082 13.442 1.00 10.67 N ATOM 0 H ARG A 2 -10.797 -4.213 11.824 1.00 8.82 H new ATOM 0 HA ARG A 2 -12.130 -5.930 12.174 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -12.369 -5.102 15.085 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -12.721 -6.680 14.409 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -9.999 -5.356 14.648 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -10.571 -6.769 15.513 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -10.843 -7.903 13.220 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -9.971 -6.543 12.541 1.00 9.46 H new ATOM 0 HE ARG A 2 -8.468 -7.587 14.750 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -9.447 -8.444 11.457 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -8.018 -9.444 11.174 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -6.666 -8.879 14.386 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -6.445 -9.689 12.832 1.00 10.67 H new ATOM 44 N SER A 3 -14.084 -4.199 11.601 1.00 7.20 N ATOM 45 CA SER A 3 -15.427 -3.709 11.274 1.00 6.89 C ATOM 46 C SER A 3 -15.492 -3.376 9.780 1.00 5.94 C ATOM 47 O SER A 3 -15.427 -2.209 9.387 1.00 6.02 O ATOM 48 CB SER A 3 -15.808 -2.483 12.137 1.00 7.63 C ATOM 49 OG SER A 3 -14.665 -1.733 12.535 1.00 8.43 O ATOM 0 H SER A 3 -13.422 -4.126 10.829 1.00 7.20 H new ATOM 0 HA SER A 3 -16.152 -4.491 11.499 1.00 6.89 H new ATOM 0 HB2 SER A 3 -16.485 -1.840 11.574 1.00 7.63 H new ATOM 0 HB3 SER A 3 -16.348 -2.817 13.023 1.00 7.63 H new ATOM 0 HG SER A 3 -14.949 -0.967 13.077 1.00 8.43 H new ATOM 55 N SER A 4 -15.541 -4.422 8.952 1.00 5.38 N ATOM 56 CA SER A 4 -15.538 -4.274 7.495 1.00 4.74 C ATOM 57 C SER A 4 -16.929 -3.909 6.955 1.00 4.08 C ATOM 58 O SER A 4 -17.815 -4.760 6.856 1.00 4.43 O ATOM 59 CB SER A 4 -15.037 -5.572 6.840 1.00 5.40 C ATOM 60 OG SER A 4 -13.802 -5.993 7.410 1.00 6.32 O ATOM 0 H SER A 4 -15.584 -5.390 9.270 1.00 5.38 H new ATOM 0 HA SER A 4 -14.864 -3.455 7.243 1.00 4.74 H new ATOM 0 HB2 SER A 4 -15.784 -6.356 6.963 1.00 5.40 H new ATOM 0 HB3 SER A 4 -14.912 -5.417 5.768 1.00 5.40 H new ATOM 0 HG SER A 4 -13.107 -5.994 6.720 1.00 6.32 H new ATOM 66 N ALA A 5 -17.094 -2.636 6.599 1.00 3.63 N ATOM 67 CA ALA A 5 -18.347 -2.112 6.042 1.00 3.45 C ATOM 68 C ALA A 5 -18.048 -1.017 5.011 1.00 2.57 C ATOM 69 O ALA A 5 -18.704 -0.933 3.970 1.00 2.77 O ATOM 70 CB ALA A 5 -19.251 -1.578 7.154 1.00 4.25 C ATOM 0 H ALA A 5 -16.360 -1.933 6.688 1.00 3.63 H new ATOM 0 HA ALA A 5 -18.874 -2.925 5.542 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -20.174 -1.194 6.720 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -19.485 -2.383 7.851 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -18.739 -0.776 7.685 1.00 4.25 H new ATOM 76 N LYS A 6 -17.058 -0.180 5.327 1.00 2.17 N ATOM 77 CA LYS A 6 -16.600 0.891 4.442 1.00 1.92 C ATOM 78 C LYS A 6 -15.338 0.441 3.706 1.00 1.64 C ATOM 79 O LYS A 6 -14.340 0.103 4.347 1.00 2.32 O ATOM 80 CB LYS A 6 -16.293 2.149 5.254 1.00 2.86 C ATOM 81 CG LYS A 6 -17.391 2.544 6.227 1.00 3.45 C ATOM 82 CD LYS A 6 -18.692 2.914 5.513 1.00 4.36 C ATOM 83 CE LYS A 6 -19.750 3.435 6.488 1.00 5.20 C ATOM 84 NZ LYS A 6 -19.150 4.289 7.545 1.00 5.61 N ATOM 0 H LYS A 6 -16.549 -0.227 6.210 1.00 2.17 H new ATOM 0 HA LYS A 6 -17.386 1.115 3.721 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -15.369 1.993 5.810 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -16.116 2.977 4.568 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -17.578 1.719 6.915 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -17.055 3.390 6.827 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -18.488 3.674 4.758 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -19.080 2.040 4.989 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -20.500 4.006 5.940 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -20.266 2.593 6.950 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -19.901 4.824 8.027 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -18.654 3.690 8.235 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -18.475 4.952 7.114 1.00 5.61 H new ATOM 98 N GLN A 7 -15.365 0.430 2.372 1.00 1.12 N ATOM 99 CA GLN A 7 -14.185 0.018 1.597 1.00 0.87 C ATOM 100 C GLN A 7 -13.236 1.173 1.319 1.00 0.74 C ATOM 101 O GLN A 7 -12.160 0.968 0.753 1.00 0.75 O ATOM 102 CB GLN A 7 -14.571 -0.718 0.313 1.00 1.05 C ATOM 103 CG GLN A 7 -14.363 -2.223 0.456 1.00 1.31 C ATOM 104 CD GLN A 7 -13.149 -2.763 -0.291 1.00 1.15 C ATOM 105 OE1 GLN A 7 -12.689 -2.172 -1.267 1.00 1.76 O ATOM 106 NE2 GLN A 7 -12.619 -3.891 0.172 1.00 1.09 N ATOM 0 H GLN A 7 -16.174 0.696 1.810 1.00 1.12 H new ATOM 0 HA GLN A 7 -13.640 -0.688 2.223 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -15.614 -0.514 0.073 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -13.974 -0.343 -0.518 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -14.261 -2.465 1.514 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -15.254 -2.737 0.096 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -13.029 -4.352 0.984 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -11.802 -4.296 -0.285 1.00 1.09 H new ATOM 115 N GLU A 8 -13.541 2.345 1.876 1.00 0.74 N ATOM 116 CA GLU A 8 -12.599 3.458 1.877 1.00 0.76 C ATOM 117 C GLU A 8 -11.457 3.155 2.870 1.00 0.68 C ATOM 118 O GLU A 8 -10.584 3.987 3.110 1.00 0.98 O ATOM 119 CB GLU A 8 -13.316 4.760 2.271 1.00 0.92 C ATOM 120 CG GLU A 8 -14.149 4.650 3.557 1.00 1.50 C ATOM 121 CD GLU A 8 -13.929 5.797 4.528 1.00 1.93 C ATOM 122 OE1 GLU A 8 -12.782 6.268 4.652 1.00 2.24 O ATOM 123 OE2 GLU A 8 -14.901 6.215 5.181 1.00 2.61 O ATOM 0 H GLU A 8 -14.432 2.546 2.331 1.00 0.74 H new ATOM 0 HA GLU A 8 -12.185 3.584 0.877 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -12.573 5.548 2.398 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -13.968 5.065 1.453 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -15.206 4.608 3.292 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -13.908 3.712 4.056 1.00 1.50 H new ATOM 130 N GLU A 9 -11.517 1.951 3.474 1.00 0.41 N ATOM 131 CA GLU A 9 -10.518 1.485 4.435 1.00 0.38 C ATOM 132 C GLU A 9 -9.446 0.670 3.725 1.00 0.34 C ATOM 133 O GLU A 9 -8.285 0.702 4.118 1.00 0.43 O ATOM 134 CB GLU A 9 -11.182 0.673 5.558 1.00 0.42 C ATOM 135 CG GLU A 9 -12.062 1.530 6.463 1.00 0.62 C ATOM 136 CD GLU A 9 -12.556 0.799 7.696 1.00 1.46 C ATOM 137 OE1 GLU A 9 -11.867 -0.129 8.160 1.00 2.19 O ATOM 138 OE2 GLU A 9 -13.625 1.176 8.214 1.00 2.23 O ATOM 0 H GLU A 9 -12.265 1.279 3.303 1.00 0.41 H new ATOM 0 HA GLU A 9 -10.040 2.352 4.892 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -11.785 -0.122 5.119 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -10.410 0.192 6.159 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -11.500 2.411 6.774 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -12.920 1.884 5.892 1.00 0.62 H new ATOM 145 N LEU A 10 -9.825 -0.004 2.628 1.00 0.28 N ATOM 146 CA LEU A 10 -8.850 -0.708 1.787 1.00 0.29 C ATOM 147 C LEU A 10 -7.875 0.312 1.196 1.00 0.26 C ATOM 148 O LEU A 10 -6.680 0.049 1.080 1.00 0.30 O ATOM 149 CB LEU A 10 -9.545 -1.499 0.665 1.00 0.35 C ATOM 150 CG LEU A 10 -8.598 -2.235 -0.304 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.638 -3.143 0.455 1.00 0.60 C ATOM 152 CD2 LEU A 10 -9.385 -3.045 -1.328 1.00 1.01 C ATOM 0 H LEU A 10 -10.790 -0.075 2.306 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.307 -1.425 2.402 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -10.214 -2.230 1.119 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -10.166 -0.813 0.089 1.00 0.35 H new ATOM 0 HG LEU A 10 -8.016 -1.480 -0.833 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.981 -3.650 -0.252 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -7.039 -2.546 1.142 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -8.206 -3.884 1.018 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -8.693 -3.554 -1.999 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -10.000 -3.783 -0.813 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -10.025 -2.378 -1.905 1.00 1.01 H new ATOM 164 N VAL A 11 -8.390 1.514 0.912 1.00 0.26 N ATOM 165 CA VAL A 11 -7.564 2.615 0.414 1.00 0.29 C ATOM 166 C VAL A 11 -6.769 3.254 1.561 1.00 0.29 C ATOM 167 O VAL A 11 -5.544 3.309 1.500 1.00 0.37 O ATOM 168 CB VAL A 11 -8.419 3.700 -0.295 1.00 0.36 C ATOM 169 CG1 VAL A 11 -7.572 4.917 -0.690 1.00 0.43 C ATOM 170 CG2 VAL A 11 -9.130 3.115 -1.514 1.00 0.49 C ATOM 0 H VAL A 11 -9.377 1.747 1.020 1.00 0.26 H new ATOM 0 HA VAL A 11 -6.873 2.195 -0.317 1.00 0.29 H new ATOM 0 HB VAL A 11 -9.173 4.042 0.414 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -8.204 5.655 -1.184 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -7.129 5.357 0.203 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -6.780 4.604 -1.371 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -9.724 3.892 -1.996 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -8.391 2.733 -2.218 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -9.784 2.302 -1.198 1.00 0.49 H new ATOM 180 N LYS A 12 -7.469 3.698 2.621 1.00 0.26 N ATOM 181 CA LYS A 12 -6.823 4.332 3.790 1.00 0.30 C ATOM 182 C LYS A 12 -5.742 3.423 4.405 1.00 0.27 C ATOM 183 O LYS A 12 -4.680 3.900 4.810 1.00 0.32 O ATOM 184 CB LYS A 12 -7.888 4.765 4.824 1.00 0.38 C ATOM 185 CG LYS A 12 -7.461 4.660 6.283 1.00 1.15 C ATOM 186 CD LYS A 12 -7.522 3.219 6.753 1.00 2.01 C ATOM 187 CE LYS A 12 -8.474 3.041 7.930 1.00 2.92 C ATOM 188 NZ LYS A 12 -8.073 3.847 9.117 1.00 3.46 N ATOM 0 H LYS A 12 -8.484 3.630 2.694 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.307 5.231 3.453 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.171 5.798 4.619 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -8.780 4.156 4.679 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -6.448 5.044 6.400 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.110 5.279 6.903 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -7.842 2.582 5.928 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -6.524 2.889 7.041 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -9.481 3.326 7.625 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -8.511 1.987 8.206 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -8.493 3.435 9.975 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -7.037 3.845 9.204 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -8.409 4.824 9.003 1.00 3.46 H new ATOM 202 N ALA A 13 -5.994 2.110 4.412 1.00 0.25 N ATOM 203 CA ALA A 13 -5.021 1.131 4.905 1.00 0.26 C ATOM 204 C ALA A 13 -3.827 1.046 3.954 1.00 0.22 C ATOM 205 O ALA A 13 -2.682 1.117 4.387 1.00 0.22 O ATOM 206 CB ALA A 13 -5.666 -0.244 5.073 1.00 0.30 C ATOM 0 H ALA A 13 -6.867 1.700 4.080 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.670 1.462 5.882 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -4.923 -0.952 5.440 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.486 -0.176 5.787 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -6.049 -0.586 4.112 1.00 0.30 H new ATOM 212 N PHE A 14 -4.115 0.954 2.647 1.00 0.21 N ATOM 213 CA PHE A 14 -3.080 0.890 1.608 1.00 0.19 C ATOM 214 C PHE A 14 -2.123 2.095 1.689 1.00 0.17 C ATOM 215 O PHE A 14 -0.901 1.923 1.657 1.00 0.21 O ATOM 216 CB PHE A 14 -3.726 0.808 0.212 1.00 0.19 C ATOM 217 CG PHE A 14 -2.781 0.370 -0.868 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.533 -0.979 -1.099 1.00 1.16 C ATOM 219 CD2 PHE A 14 -2.145 1.309 -1.666 1.00 1.22 C ATOM 220 CE1 PHE A 14 -1.670 -1.370 -2.092 1.00 1.17 C ATOM 221 CE2 PHE A 14 -1.276 0.914 -2.659 1.00 1.21 C ATOM 222 CZ PHE A 14 -1.037 -0.424 -2.862 1.00 0.16 C ATOM 0 H PHE A 14 -5.067 0.922 2.283 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.492 -0.012 1.778 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.566 0.114 0.251 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.132 1.785 -0.048 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.024 -1.725 -0.492 1.00 1.16 H new ATOM 0 HD2 PHE A 14 -2.333 2.361 -1.507 1.00 1.22 H new ATOM 0 HE1 PHE A 14 -1.489 -2.420 -2.268 1.00 1.17 H new ATOM 0 HE2 PHE A 14 -0.785 1.652 -3.275 1.00 1.21 H new ATOM 0 HZ PHE A 14 -0.347 -0.734 -3.632 1.00 0.16 H new ATOM 232 N LYS A 15 -2.681 3.311 1.865 1.00 0.17 N ATOM 233 CA LYS A 15 -1.854 4.522 2.016 1.00 0.17 C ATOM 234 C LYS A 15 -0.935 4.397 3.240 1.00 0.14 C ATOM 235 O LYS A 15 0.266 4.654 3.161 1.00 0.14 O ATOM 236 CB LYS A 15 -2.709 5.807 2.203 1.00 0.25 C ATOM 237 CG LYS A 15 -3.789 6.066 1.158 1.00 0.64 C ATOM 238 CD LYS A 15 -3.222 6.113 -0.257 1.00 0.58 C ATOM 239 CE LYS A 15 -3.999 7.048 -1.192 1.00 0.82 C ATOM 240 NZ LYS A 15 -4.085 8.443 -0.679 1.00 0.93 N ATOM 0 H LYS A 15 -3.686 3.478 1.905 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.276 4.608 1.096 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.186 5.759 3.182 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.036 6.665 2.218 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -4.546 5.284 1.219 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -4.288 7.010 1.379 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -2.182 6.436 -0.213 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -3.226 5.107 -0.676 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -3.519 7.055 -2.171 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -5.006 6.656 -1.334 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -4.371 9.079 -1.450 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -4.788 8.489 0.086 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -3.156 8.737 -0.314 1.00 0.93 H new ATOM 254 N ALA A 16 -1.536 4.030 4.380 1.00 0.15 N ATOM 255 CA ALA A 16 -0.824 3.886 5.658 1.00 0.16 C ATOM 256 C ALA A 16 0.289 2.837 5.583 1.00 0.15 C ATOM 257 O ALA A 16 1.405 3.084 6.033 1.00 0.18 O ATOM 258 CB ALA A 16 -1.805 3.534 6.772 1.00 0.20 C ATOM 0 H ALA A 16 -2.533 3.824 4.442 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.354 4.845 5.879 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.265 3.430 7.713 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.548 4.326 6.866 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.304 2.594 6.534 1.00 0.20 H new ATOM 264 N LEU A 17 -0.023 1.679 4.990 1.00 0.15 N ATOM 265 CA LEU A 17 0.952 0.589 4.830 1.00 0.17 C ATOM 266 C LEU A 17 2.219 1.074 4.124 1.00 0.15 C ATOM 267 O LEU A 17 3.334 0.796 4.566 1.00 0.19 O ATOM 268 CB LEU A 17 0.340 -0.568 4.018 1.00 0.21 C ATOM 269 CG LEU A 17 -0.765 -1.374 4.716 1.00 0.25 C ATOM 270 CD1 LEU A 17 -0.771 -2.812 4.218 1.00 0.27 C ATOM 271 CD2 LEU A 17 -0.620 -1.341 6.236 1.00 0.33 C ATOM 0 H LEU A 17 -0.947 1.470 4.611 1.00 0.15 H new ATOM 0 HA LEU A 17 1.215 0.241 5.829 1.00 0.17 H new ATOM 0 HB2 LEU A 17 -0.066 -0.160 3.092 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.141 -1.253 3.740 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.717 -0.906 4.465 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.560 -3.369 4.723 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -0.950 -2.824 3.143 1.00 0.27 H new ATOM 0 HD13 LEU A 17 0.193 -3.275 4.431 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -1.421 -1.923 6.691 1.00 0.33 H new ATOM 0 HD22 LEU A 17 0.343 -1.766 6.519 1.00 0.33 H new ATOM 0 HD23 LEU A 17 -0.678 -0.310 6.585 1.00 0.33 H new ATOM 283 N LEU A 18 2.031 1.808 3.029 1.00 0.12 N ATOM 284 CA LEU A 18 3.158 2.333 2.249 1.00 0.12 C ATOM 285 C LEU A 18 3.887 3.460 2.989 1.00 0.13 C ATOM 286 O LEU A 18 5.100 3.412 3.167 1.00 0.15 O ATOM 287 CB LEU A 18 2.671 2.844 0.891 1.00 0.12 C ATOM 288 CG LEU A 18 1.961 1.804 0.020 1.00 0.13 C ATOM 289 CD1 LEU A 18 1.106 2.505 -1.022 1.00 0.22 C ATOM 290 CD2 LEU A 18 2.965 0.862 -0.639 1.00 0.15 C ATOM 0 H LEU A 18 1.113 2.054 2.660 1.00 0.12 H new ATOM 0 HA LEU A 18 3.861 1.513 2.103 1.00 0.12 H new ATOM 0 HB2 LEU A 18 1.992 3.680 1.058 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.526 3.234 0.339 1.00 0.12 H new ATOM 0 HG LEU A 18 1.314 1.198 0.655 1.00 0.13 H new ATOM 0 HD11 LEU A 18 0.603 1.761 -1.640 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.362 3.127 -0.524 1.00 0.22 H new ATOM 0 HD13 LEU A 18 1.739 3.131 -1.651 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.433 0.134 -1.251 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.645 1.437 -1.267 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.535 0.341 0.131 1.00 0.15 H new ATOM 302 N LYS A 19 3.128 4.469 3.424 1.00 0.17 N ATOM 303 CA LYS A 19 3.690 5.653 4.096 1.00 0.21 C ATOM 304 C LYS A 19 4.468 5.318 5.382 1.00 0.24 C ATOM 305 O LYS A 19 5.321 6.097 5.809 1.00 0.32 O ATOM 306 CB LYS A 19 2.571 6.652 4.401 1.00 0.23 C ATOM 307 CG LYS A 19 1.935 7.241 3.144 1.00 0.25 C ATOM 308 CD LYS A 19 0.670 8.036 3.464 1.00 0.38 C ATOM 309 CE LYS A 19 0.972 9.353 4.181 1.00 0.80 C ATOM 310 NZ LYS A 19 1.163 10.480 3.233 1.00 1.39 N ATOM 0 H LYS A 19 2.113 4.493 3.323 1.00 0.17 H new ATOM 0 HA LYS A 19 4.413 6.092 3.408 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.801 6.157 4.993 1.00 0.23 H new ATOM 0 HB3 LYS A 19 2.971 7.461 5.012 1.00 0.23 H new ATOM 0 HG2 LYS A 19 2.654 7.889 2.643 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.692 6.437 2.449 1.00 0.25 H new ATOM 0 HD2 LYS A 19 0.132 8.245 2.539 1.00 0.38 H new ATOM 0 HD3 LYS A 19 0.011 7.430 4.086 1.00 0.38 H new ATOM 0 HE2 LYS A 19 0.155 9.589 4.862 1.00 0.80 H new ATOM 0 HE3 LYS A 19 1.870 9.236 4.788 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 1.128 11.380 3.752 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 2.086 10.386 2.764 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 0.408 10.464 2.518 1.00 1.39 H new ATOM 324 N GLU A 20 4.175 4.166 5.996 1.00 0.26 N ATOM 325 CA GLU A 20 4.885 3.722 7.205 1.00 0.30 C ATOM 326 C GLU A 20 6.319 3.264 6.878 1.00 0.27 C ATOM 327 O GLU A 20 7.165 3.180 7.775 1.00 0.30 O ATOM 328 CB GLU A 20 4.109 2.582 7.888 1.00 0.39 C ATOM 329 CG GLU A 20 2.867 3.052 8.644 1.00 0.48 C ATOM 330 CD GLU A 20 3.161 3.435 10.078 1.00 1.05 C ATOM 331 OE1 GLU A 20 3.827 4.467 10.292 1.00 1.76 O ATOM 332 OE2 GLU A 20 2.741 2.698 10.991 1.00 1.75 O ATOM 0 H GLU A 20 3.451 3.523 5.677 1.00 0.26 H new ATOM 0 HA GLU A 20 4.950 4.571 7.886 1.00 0.30 H new ATOM 0 HB2 GLU A 20 3.811 1.854 7.133 1.00 0.39 H new ATOM 0 HB3 GLU A 20 4.773 2.067 8.582 1.00 0.39 H new ATOM 0 HG2 GLU A 20 2.435 3.908 8.126 1.00 0.48 H new ATOM 0 HG3 GLU A 20 2.118 2.260 8.631 1.00 0.48 H new ATOM 339 N GLU A 21 6.574 2.960 5.596 1.00 0.24 N ATOM 340 CA GLU A 21 7.895 2.518 5.122 1.00 0.26 C ATOM 341 C GLU A 21 8.322 1.220 5.828 1.00 0.28 C ATOM 342 O GLU A 21 9.169 1.226 6.726 1.00 0.42 O ATOM 343 CB GLU A 21 8.940 3.638 5.305 1.00 0.28 C ATOM 344 CG GLU A 21 8.435 5.016 4.868 1.00 0.33 C ATOM 345 CD GLU A 21 9.538 6.042 4.695 1.00 0.44 C ATOM 346 OE1 GLU A 21 10.624 5.855 5.273 1.00 1.19 O ATOM 347 OE2 GLU A 21 9.302 7.062 4.018 1.00 1.17 O ATOM 0 H GLU A 21 5.871 3.014 4.859 1.00 0.24 H new ATOM 0 HA GLU A 21 7.827 2.302 4.056 1.00 0.26 H new ATOM 0 HB2 GLU A 21 9.235 3.683 6.354 1.00 0.28 H new ATOM 0 HB3 GLU A 21 9.834 3.388 4.733 1.00 0.28 H new ATOM 0 HG2 GLU A 21 7.895 4.914 3.927 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.722 5.383 5.606 1.00 0.33 H new ATOM 354 N LYS A 22 7.683 0.119 5.429 1.00 0.24 N ATOM 355 CA LYS A 22 7.899 -1.200 6.037 1.00 0.27 C ATOM 356 C LYS A 22 7.988 -2.295 4.968 1.00 0.33 C ATOM 357 O LYS A 22 8.857 -3.168 5.027 1.00 0.74 O ATOM 358 CB LYS A 22 6.738 -1.491 7.014 1.00 0.37 C ATOM 359 CG LYS A 22 6.474 -2.969 7.303 1.00 0.95 C ATOM 360 CD LYS A 22 5.607 -3.138 8.548 1.00 1.24 C ATOM 361 CE LYS A 22 5.107 -4.571 8.717 1.00 1.69 C ATOM 362 NZ LYS A 22 6.216 -5.563 8.722 1.00 2.44 N ATOM 0 H LYS A 22 6.998 0.114 4.673 1.00 0.24 H new ATOM 0 HA LYS A 22 8.846 -1.195 6.577 1.00 0.27 H new ATOM 0 HB2 LYS A 22 6.945 -0.986 7.957 1.00 0.37 H new ATOM 0 HB3 LYS A 22 5.827 -1.050 6.610 1.00 0.37 H new ATOM 0 HG2 LYS A 22 5.980 -3.428 6.447 1.00 0.95 H new ATOM 0 HG3 LYS A 22 7.421 -3.491 7.442 1.00 0.95 H new ATOM 0 HD2 LYS A 22 6.180 -2.850 9.429 1.00 1.24 H new ATOM 0 HD3 LYS A 22 4.754 -2.463 8.488 1.00 1.24 H new ATOM 0 HE2 LYS A 22 4.548 -4.650 9.650 1.00 1.69 H new ATOM 0 HE3 LYS A 22 4.414 -4.809 7.910 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 5.845 -6.497 8.990 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 6.638 -5.617 7.773 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 6.942 -5.269 9.407 1.00 2.44 H new ATOM 376 N PHE A 23 7.059 -2.254 4.014 1.00 0.25 N ATOM 377 CA PHE A 23 6.959 -3.264 2.956 1.00 0.25 C ATOM 378 C PHE A 23 7.910 -2.977 1.802 1.00 0.23 C ATOM 379 O PHE A 23 7.944 -1.865 1.280 1.00 0.30 O ATOM 380 CB PHE A 23 5.522 -3.313 2.454 1.00 0.36 C ATOM 381 CG PHE A 23 4.539 -3.433 3.589 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.425 -4.620 4.294 1.00 1.25 C ATOM 383 CD2 PHE A 23 3.834 -2.332 4.036 1.00 1.22 C ATOM 384 CE1 PHE A 23 3.573 -4.727 5.370 1.00 1.27 C ATOM 385 CE2 PHE A 23 2.979 -2.433 5.114 1.00 1.21 C ATOM 386 CZ PHE A 23 2.845 -3.633 5.780 1.00 0.35 C ATOM 0 H PHE A 23 6.353 -1.520 3.951 1.00 0.25 H new ATOM 0 HA PHE A 23 7.245 -4.229 3.374 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.306 -2.412 1.880 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.402 -4.159 1.777 1.00 0.36 H new ATOM 0 HD1 PHE A 23 5.014 -5.475 3.995 1.00 1.25 H new ATOM 0 HD2 PHE A 23 3.954 -1.382 3.536 1.00 1.22 H new ATOM 0 HE1 PHE A 23 3.476 -5.668 5.892 1.00 1.27 H new ATOM 0 HE2 PHE A 23 2.414 -1.571 5.437 1.00 1.21 H new ATOM 0 HZ PHE A 23 2.171 -3.714 6.620 1.00 0.35 H new ATOM 396 N SER A 24 8.649 -4.000 1.391 1.00 0.22 N ATOM 397 CA SER A 24 9.648 -3.873 0.321 1.00 0.27 C ATOM 398 C SER A 24 9.129 -4.385 -1.031 1.00 0.26 C ATOM 399 O SER A 24 9.608 -3.950 -2.082 1.00 0.44 O ATOM 400 CB SER A 24 10.959 -4.596 0.712 1.00 0.37 C ATOM 401 OG SER A 24 10.862 -5.250 1.978 1.00 1.04 O ATOM 0 H SER A 24 8.579 -4.939 1.783 1.00 0.22 H new ATOM 0 HA SER A 24 9.853 -2.809 0.200 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.209 -5.329 -0.055 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.775 -3.874 0.741 1.00 0.37 H new ATOM 0 HG SER A 24 11.711 -5.694 2.183 1.00 1.04 H new ATOM 407 N SER A 25 8.163 -5.305 -1.005 1.00 0.21 N ATOM 408 CA SER A 25 7.591 -5.869 -2.234 1.00 0.22 C ATOM 409 C SER A 25 6.058 -5.844 -2.193 1.00 0.20 C ATOM 410 O SER A 25 5.455 -5.336 -1.241 1.00 0.24 O ATOM 411 CB SER A 25 8.112 -7.304 -2.455 1.00 0.31 C ATOM 412 OG SER A 25 7.908 -8.128 -1.312 1.00 0.43 O ATOM 0 H SER A 25 7.758 -5.677 -0.146 1.00 0.21 H new ATOM 0 HA SER A 25 7.908 -5.251 -3.074 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.607 -7.745 -3.314 1.00 0.31 H new ATOM 0 HB3 SER A 25 9.175 -7.271 -2.693 1.00 0.31 H new ATOM 0 HG SER A 25 8.619 -7.963 -0.659 1.00 0.43 H new ATOM 418 N GLN A 26 5.438 -6.384 -3.246 1.00 0.22 N ATOM 419 CA GLN A 26 3.974 -6.438 -3.365 1.00 0.23 C ATOM 420 C GLN A 26 3.414 -7.408 -2.311 1.00 0.27 C ATOM 421 O GLN A 26 2.694 -7.015 -1.396 1.00 0.44 O ATOM 422 CB GLN A 26 3.558 -6.938 -4.768 1.00 0.33 C ATOM 423 CG GLN A 26 4.551 -6.665 -5.905 1.00 0.48 C ATOM 424 CD GLN A 26 4.730 -5.198 -6.234 1.00 0.76 C ATOM 425 OE1 GLN A 26 5.734 -4.591 -5.874 1.00 1.53 O ATOM 426 NE2 GLN A 26 3.784 -4.635 -6.966 1.00 0.81 N ATOM 0 H GLN A 26 5.932 -6.795 -4.038 1.00 0.22 H new ATOM 0 HA GLN A 26 3.577 -5.435 -3.211 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.388 -8.013 -4.712 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.605 -6.477 -5.027 1.00 0.33 H new ATOM 0 HG2 GLN A 26 5.520 -7.086 -5.635 1.00 0.48 H new ATOM 0 HG3 GLN A 26 4.214 -7.188 -6.800 1.00 0.48 H new ATOM 0 HE21 GLN A 26 2.965 -5.175 -7.244 1.00 0.81 H new ATOM 0 HE22 GLN A 26 3.873 -3.660 -7.253 1.00 0.81 H new ATOM 435 N GLY A 27 3.834 -8.671 -2.432 1.00 0.23 N ATOM 436 CA GLY A 27 3.400 -9.758 -1.542 1.00 0.25 C ATOM 437 C GLY A 27 3.378 -9.423 -0.048 1.00 0.23 C ATOM 438 O GLY A 27 2.482 -9.874 0.673 1.00 0.30 O ATOM 0 H GLY A 27 4.489 -8.972 -3.154 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.399 -10.070 -1.841 1.00 0.25 H new ATOM 0 HA3 GLY A 27 4.059 -10.613 -1.694 1.00 0.25 H new ATOM 442 N GLU A 28 4.358 -8.639 0.420 1.00 0.22 N ATOM 443 CA GLU A 28 4.440 -8.246 1.838 1.00 0.25 C ATOM 444 C GLU A 28 3.207 -7.437 2.278 1.00 0.20 C ATOM 445 O GLU A 28 2.626 -7.702 3.337 1.00 0.24 O ATOM 446 CB GLU A 28 5.724 -7.434 2.098 1.00 0.34 C ATOM 447 CG GLU A 28 7.017 -8.200 1.833 1.00 0.96 C ATOM 448 CD GLU A 28 8.247 -7.308 1.854 1.00 1.05 C ATOM 449 OE1 GLU A 28 8.334 -6.436 2.737 1.00 1.59 O ATOM 450 OE2 GLU A 28 9.118 -7.472 0.979 1.00 1.62 O ATOM 0 H GLU A 28 5.107 -8.263 -0.161 1.00 0.22 H new ATOM 0 HA GLU A 28 4.468 -9.161 2.429 1.00 0.25 H new ATOM 0 HB2 GLU A 28 5.709 -6.542 1.471 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.722 -7.095 3.134 1.00 0.34 H new ATOM 0 HG2 GLU A 28 7.130 -8.983 2.583 1.00 0.96 H new ATOM 0 HG3 GLU A 28 6.949 -8.694 0.864 1.00 0.96 H new ATOM 457 N ILE A 29 2.799 -6.462 1.456 1.00 0.17 N ATOM 458 CA ILE A 29 1.624 -5.627 1.761 1.00 0.15 C ATOM 459 C ILE A 29 0.311 -6.384 1.458 1.00 0.14 C ATOM 460 O ILE A 29 -0.720 -6.108 2.078 1.00 0.16 O ATOM 461 CB ILE A 29 1.695 -4.221 1.061 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.356 -3.756 0.479 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.762 -4.169 -0.030 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.430 -2.362 -0.115 1.00 0.16 C ATOM 0 H ILE A 29 3.261 -6.230 0.577 1.00 0.17 H new ATOM 0 HA ILE A 29 1.633 -5.422 2.832 1.00 0.15 H new ATOM 0 HB ILE A 29 1.967 -3.534 1.862 1.00 0.16 H new ATOM 0 HG12 ILE A 29 0.035 -4.458 -0.291 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.402 -3.773 1.262 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.771 -3.178 -0.483 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.739 -4.378 0.406 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.539 -4.914 -0.793 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.546 -2.084 -0.513 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.723 -1.652 0.658 1.00 0.16 H new ATOM 0 HD13 ILE A 29 1.167 -2.347 -0.918 1.00 0.16 H new ATOM 476 N VAL A 30 0.383 -7.424 0.605 1.00 0.14 N ATOM 477 CA VAL A 30 -0.776 -8.291 0.322 1.00 0.16 C ATOM 478 C VAL A 30 -1.202 -9.040 1.597 1.00 0.17 C ATOM 479 O VAL A 30 -2.385 -9.077 1.947 1.00 0.24 O ATOM 480 CB VAL A 30 -0.475 -9.336 -0.797 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.693 -10.210 -1.075 1.00 0.29 C ATOM 482 CG2 VAL A 30 -0.027 -8.665 -2.086 1.00 0.23 C ATOM 0 H VAL A 30 1.231 -7.684 0.101 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.579 -7.641 -0.025 1.00 0.16 H new ATOM 0 HB VAL A 30 0.338 -9.963 -0.432 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.454 -10.929 -1.859 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -1.973 -10.744 -0.167 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.524 -9.583 -1.398 1.00 0.29 H new ATOM 0 HG21 VAL A 30 0.173 -9.425 -2.841 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -0.813 -7.998 -2.441 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.880 -8.090 -1.901 1.00 0.23 H new ATOM 492 N ALA A 31 -0.216 -9.629 2.286 1.00 0.17 N ATOM 493 CA ALA A 31 -0.459 -10.354 3.539 1.00 0.21 C ATOM 494 C ALA A 31 -0.842 -9.393 4.672 1.00 0.21 C ATOM 495 O ALA A 31 -1.745 -9.683 5.459 1.00 0.26 O ATOM 496 CB ALA A 31 0.772 -11.172 3.929 1.00 0.25 C ATOM 0 H ALA A 31 0.761 -9.617 1.995 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.296 -11.033 3.377 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.576 -11.704 4.860 1.00 0.25 H new ATOM 0 HB2 ALA A 31 0.996 -11.891 3.141 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.624 -10.505 4.064 1.00 0.25 H new ATOM 502 N ALA A 32 -0.173 -8.231 4.721 1.00 0.18 N ATOM 503 CA ALA A 32 -0.431 -7.209 5.749 1.00 0.20 C ATOM 504 C ALA A 32 -1.908 -6.795 5.805 1.00 0.18 C ATOM 505 O ALA A 32 -2.484 -6.681 6.889 1.00 0.24 O ATOM 506 CB ALA A 32 0.451 -5.989 5.514 1.00 0.21 C ATOM 0 H ALA A 32 0.556 -7.974 4.056 1.00 0.18 H new ATOM 0 HA ALA A 32 -0.185 -7.654 6.713 1.00 0.20 H new ATOM 0 HB1 ALA A 32 0.250 -5.241 6.281 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.499 -6.284 5.560 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.236 -5.568 4.532 1.00 0.21 H new ATOM 512 N LEU A 33 -2.528 -6.597 4.635 1.00 0.15 N ATOM 513 CA LEU A 33 -3.947 -6.219 4.569 1.00 0.15 C ATOM 514 C LEU A 33 -4.859 -7.376 5.036 1.00 0.17 C ATOM 515 O LEU A 33 -5.915 -7.144 5.627 1.00 0.21 O ATOM 516 CB LEU A 33 -4.331 -5.746 3.152 1.00 0.21 C ATOM 517 CG LEU A 33 -3.566 -4.507 2.649 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.605 -4.414 1.129 1.00 0.47 C ATOM 519 CD2 LEU A 33 -4.133 -3.237 3.272 1.00 0.37 C ATOM 0 H LEU A 33 -2.074 -6.691 3.726 1.00 0.15 H new ATOM 0 HA LEU A 33 -4.098 -5.383 5.252 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -4.163 -6.566 2.454 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.399 -5.527 3.135 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.525 -4.612 2.955 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -3.057 -3.530 0.804 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -3.146 -5.304 0.698 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.640 -4.342 0.795 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.579 -2.373 2.904 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -5.184 -3.137 3.001 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -4.042 -3.292 4.357 1.00 0.37 H new ATOM 531 N GLN A 34 -4.421 -8.624 4.844 1.00 0.20 N ATOM 532 CA GLN A 34 -5.190 -9.782 5.329 1.00 0.26 C ATOM 533 C GLN A 34 -5.212 -9.807 6.869 1.00 0.29 C ATOM 534 O GLN A 34 -6.233 -10.136 7.478 1.00 0.38 O ATOM 535 CB GLN A 34 -4.627 -11.095 4.760 1.00 0.29 C ATOM 536 CG GLN A 34 -4.862 -11.257 3.260 1.00 0.33 C ATOM 537 CD GLN A 34 -4.129 -12.450 2.671 1.00 0.58 C ATOM 538 OE1 GLN A 34 -4.333 -13.589 3.091 1.00 1.12 O ATOM 539 NE2 GLN A 34 -3.266 -12.192 1.701 1.00 0.58 N ATOM 0 H GLN A 34 -3.552 -8.860 4.364 1.00 0.20 H new ATOM 0 HA GLN A 34 -6.217 -9.684 4.976 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.556 -11.139 4.959 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -5.083 -11.935 5.284 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -5.931 -11.366 3.075 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -4.541 -10.350 2.747 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -3.128 -11.233 1.383 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -2.739 -12.953 1.271 1.00 0.58 H new ATOM 548 N GLU A 35 -4.107 -9.362 7.487 1.00 0.28 N ATOM 549 CA GLU A 35 -4.015 -9.249 8.950 1.00 0.34 C ATOM 550 C GLU A 35 -4.806 -8.029 9.467 1.00 0.34 C ATOM 551 O GLU A 35 -5.322 -8.042 10.586 1.00 0.45 O ATOM 552 CB GLU A 35 -2.547 -9.136 9.391 1.00 0.37 C ATOM 553 CG GLU A 35 -1.673 -10.305 8.946 1.00 0.65 C ATOM 554 CD GLU A 35 -0.244 -10.180 9.432 1.00 1.20 C ATOM 555 OE1 GLU A 35 0.455 -9.249 8.986 1.00 1.94 O ATOM 556 OE2 GLU A 35 0.172 -10.994 10.279 1.00 1.78 O ATOM 0 H GLU A 35 -3.262 -9.074 6.994 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.451 -10.152 9.378 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -2.129 -8.211 8.993 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -2.510 -9.061 10.478 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -2.100 -11.236 9.319 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -1.679 -10.365 7.858 1.00 0.65 H new ATOM 563 N GLN A 36 -4.878 -6.971 8.642 1.00 0.26 N ATOM 564 CA GLN A 36 -5.601 -5.738 8.991 1.00 0.28 C ATOM 565 C GLN A 36 -7.102 -5.998 9.153 1.00 0.30 C ATOM 566 O GLN A 36 -7.663 -5.798 10.231 1.00 0.39 O ATOM 567 CB GLN A 36 -5.371 -4.659 7.919 1.00 0.26 C ATOM 568 CG GLN A 36 -4.045 -3.917 8.062 1.00 0.31 C ATOM 569 CD GLN A 36 -4.161 -2.652 8.900 1.00 0.49 C ATOM 570 OE1 GLN A 36 -4.564 -2.704 10.063 1.00 1.42 O ATOM 571 NE2 GLN A 36 -3.835 -1.512 8.309 1.00 0.65 N ATOM 0 H GLN A 36 -4.440 -6.946 7.721 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.210 -5.385 9.945 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.411 -5.125 6.934 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.187 -3.937 7.963 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.310 -4.581 8.516 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -3.671 -3.658 7.072 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -3.505 -1.514 7.344 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -3.914 -0.632 8.819 1.00 0.65 H new ATOM 580 N GLY A 37 -7.743 -6.435 8.071 1.00 0.28 N ATOM 581 CA GLY A 37 -9.171 -6.715 8.106 1.00 0.33 C ATOM 582 C GLY A 37 -9.791 -6.848 6.725 1.00 0.34 C ATOM 583 O GLY A 37 -10.953 -6.486 6.531 1.00 0.46 O ATOM 0 H GLY A 37 -7.298 -6.601 7.168 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.340 -7.637 8.663 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.678 -5.917 8.649 1.00 0.33 H new ATOM 587 N PHE A 38 -9.024 -7.370 5.764 1.00 0.30 N ATOM 588 CA PHE A 38 -9.509 -7.542 4.387 1.00 0.34 C ATOM 589 C PHE A 38 -9.469 -9.012 3.975 1.00 0.45 C ATOM 590 O PHE A 38 -8.797 -9.834 4.612 1.00 0.83 O ATOM 591 CB PHE A 38 -8.687 -6.671 3.428 1.00 0.31 C ATOM 592 CG PHE A 38 -8.689 -5.224 3.845 1.00 0.26 C ATOM 593 CD1 PHE A 38 -9.763 -4.405 3.541 1.00 1.24 C ATOM 594 CD2 PHE A 38 -7.675 -4.718 4.637 1.00 1.19 C ATOM 595 CE1 PHE A 38 -9.788 -3.093 3.971 1.00 1.26 C ATOM 596 CE2 PHE A 38 -7.694 -3.413 5.066 1.00 1.19 C ATOM 597 CZ PHE A 38 -8.748 -2.600 4.736 1.00 0.29 C ATOM 0 H PHE A 38 -8.064 -7.682 5.912 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.549 -7.218 4.338 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.661 -7.038 3.393 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -9.092 -6.759 2.420 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -10.588 -4.795 2.963 1.00 1.24 H new ATOM 0 HD2 PHE A 38 -6.854 -5.359 4.923 1.00 1.19 H new ATOM 0 HE1 PHE A 38 -10.618 -2.454 3.710 1.00 1.26 H new ATOM 0 HE2 PHE A 38 -6.880 -3.028 5.662 1.00 1.19 H new ATOM 0 HZ PHE A 38 -8.765 -1.574 5.074 1.00 0.29 H new ATOM 607 N ASP A 39 -10.259 -9.349 2.957 1.00 0.46 N ATOM 608 CA ASP A 39 -10.364 -10.710 2.457 1.00 0.58 C ATOM 609 C ASP A 39 -10.600 -10.687 0.952 1.00 0.69 C ATOM 610 O ASP A 39 -11.424 -9.924 0.440 1.00 1.55 O ATOM 611 CB ASP A 39 -11.495 -11.465 3.169 1.00 0.72 C ATOM 612 CG ASP A 39 -11.317 -12.971 3.152 1.00 1.53 C ATOM 613 OD1 ASP A 39 -10.255 -13.450 3.595 1.00 2.21 O ATOM 614 OD2 ASP A 39 -12.250 -13.678 2.728 1.00 2.24 O ATOM 0 H ASP A 39 -10.845 -8.680 2.457 1.00 0.46 H new ATOM 0 HA ASP A 39 -9.430 -11.234 2.662 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -11.554 -11.125 4.203 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -12.444 -11.213 2.696 1.00 0.72 H new ATOM 619 N ASN A 40 -9.851 -11.533 0.275 1.00 0.95 N ATOM 620 CA ASN A 40 -9.848 -11.644 -1.196 1.00 1.07 C ATOM 621 C ASN A 40 -8.889 -10.614 -1.803 1.00 0.91 C ATOM 622 O ASN A 40 -9.143 -10.053 -2.874 1.00 1.18 O ATOM 623 CB ASN A 40 -11.266 -11.507 -1.798 1.00 1.35 C ATOM 624 CG ASN A 40 -11.380 -12.116 -3.191 1.00 1.76 C ATOM 625 OD1 ASN A 40 -11.094 -13.298 -3.388 1.00 2.30 O ATOM 626 ND2 ASN A 40 -11.791 -11.315 -4.169 1.00 2.30 N ATOM 0 H ASN A 40 -9.209 -12.183 0.728 1.00 0.95 H new ATOM 0 HA ASN A 40 -9.497 -12.644 -1.450 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -11.985 -11.990 -1.136 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -11.535 -10.452 -1.845 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -11.878 -11.674 -5.120 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -12.019 -10.341 -3.969 1.00 2.30 H new ATOM 633 N ILE A 41 -7.789 -10.367 -1.089 1.00 0.58 N ATOM 634 CA ILE A 41 -6.748 -9.441 -1.522 1.00 0.44 C ATOM 635 C ILE A 41 -5.565 -10.246 -2.065 1.00 0.39 C ATOM 636 O ILE A 41 -4.952 -11.038 -1.342 1.00 0.62 O ATOM 637 CB ILE A 41 -6.317 -8.505 -0.347 1.00 0.40 C ATOM 638 CG1 ILE A 41 -7.128 -7.200 -0.378 1.00 0.60 C ATOM 639 CG2 ILE A 41 -4.829 -8.183 -0.374 1.00 0.39 C ATOM 640 CD1 ILE A 41 -8.617 -7.407 -0.538 1.00 1.68 C ATOM 0 H ILE A 41 -7.597 -10.808 -0.189 1.00 0.58 H new ATOM 0 HA ILE A 41 -7.131 -8.799 -2.315 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.520 -9.045 0.577 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -6.945 -6.648 0.544 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -6.767 -6.579 -1.198 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.583 -7.530 0.463 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.255 -9.106 -0.295 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -4.582 -7.682 -1.310 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -9.119 -6.440 -0.551 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -8.813 -7.930 -1.474 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -8.993 -8.000 0.295 1.00 1.68 H new ATOM 652 N ASN A 42 -5.300 -10.085 -3.359 1.00 0.33 N ATOM 653 CA ASN A 42 -4.230 -10.827 -4.049 1.00 0.31 C ATOM 654 C ASN A 42 -3.098 -9.901 -4.522 1.00 0.24 C ATOM 655 O ASN A 42 -3.186 -8.671 -4.416 1.00 0.25 O ATOM 656 CB ASN A 42 -4.811 -11.637 -5.233 1.00 0.40 C ATOM 657 CG ASN A 42 -5.590 -10.792 -6.238 1.00 0.48 C ATOM 658 OD1 ASN A 42 -5.073 -9.817 -6.781 1.00 0.66 O ATOM 659 ND2 ASN A 42 -6.839 -11.160 -6.489 1.00 0.91 N ATOM 0 H ASN A 42 -5.813 -9.442 -3.962 1.00 0.33 H new ATOM 0 HA ASN A 42 -3.795 -11.521 -3.329 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -3.995 -12.140 -5.752 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -5.467 -12.415 -4.841 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -7.404 -10.629 -7.151 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -7.235 -11.975 -6.020 1.00 0.91 H new ATOM 666 N GLN A 43 -2.036 -10.518 -5.052 1.00 0.24 N ATOM 667 CA GLN A 43 -0.851 -9.799 -5.540 1.00 0.26 C ATOM 668 C GLN A 43 -1.193 -8.814 -6.665 1.00 0.22 C ATOM 669 O GLN A 43 -0.716 -7.680 -6.659 1.00 0.24 O ATOM 670 CB GLN A 43 0.222 -10.793 -6.020 1.00 0.37 C ATOM 671 CG GLN A 43 1.636 -10.223 -5.984 1.00 0.56 C ATOM 672 CD GLN A 43 2.676 -11.186 -6.535 1.00 0.88 C ATOM 673 OE1 GLN A 43 2.765 -12.336 -6.104 1.00 1.66 O ATOM 674 NE2 GLN A 43 3.468 -10.725 -7.492 1.00 1.43 N ATOM 0 H GLN A 43 -1.973 -11.531 -5.155 1.00 0.24 H new ATOM 0 HA GLN A 43 -0.461 -9.220 -4.703 1.00 0.26 H new ATOM 0 HB2 GLN A 43 0.183 -11.687 -5.398 1.00 0.37 H new ATOM 0 HB3 GLN A 43 -0.011 -11.103 -7.039 1.00 0.37 H new ATOM 0 HG2 GLN A 43 1.664 -9.298 -6.559 1.00 0.56 H new ATOM 0 HG3 GLN A 43 1.893 -9.967 -4.956 1.00 0.56 H new ATOM 0 HE21 GLN A 43 3.363 -9.766 -7.823 1.00 1.43 H new ATOM 0 HE22 GLN A 43 4.182 -11.329 -7.898 1.00 1.43 H new ATOM 683 N SER A 44 -2.036 -9.238 -7.614 1.00 0.25 N ATOM 684 CA SER A 44 -2.442 -8.391 -8.730 1.00 0.29 C ATOM 685 C SER A 44 -3.154 -7.114 -8.258 1.00 0.28 C ATOM 686 O SER A 44 -2.926 -6.040 -8.810 1.00 0.34 O ATOM 687 CB SER A 44 -3.338 -9.182 -9.673 1.00 0.36 C ATOM 688 OG SER A 44 -2.745 -10.415 -10.055 1.00 0.83 O ATOM 0 H SER A 44 -2.450 -10.170 -7.626 1.00 0.25 H new ATOM 0 HA SER A 44 -1.541 -8.078 -9.257 1.00 0.29 H new ATOM 0 HB2 SER A 44 -4.295 -9.374 -9.189 1.00 0.36 H new ATOM 0 HB3 SER A 44 -3.544 -8.587 -10.563 1.00 0.36 H new ATOM 0 HG SER A 44 -3.349 -10.896 -10.658 1.00 0.83 H new ATOM 694 N LYS A 45 -3.995 -7.230 -7.224 1.00 0.27 N ATOM 695 CA LYS A 45 -4.698 -6.069 -6.657 1.00 0.30 C ATOM 696 C LYS A 45 -3.705 -5.100 -6.002 1.00 0.22 C ATOM 697 O LYS A 45 -3.827 -3.886 -6.137 1.00 0.26 O ATOM 698 CB LYS A 45 -5.756 -6.522 -5.628 1.00 0.39 C ATOM 699 CG LYS A 45 -7.040 -5.690 -5.649 1.00 0.64 C ATOM 700 CD LYS A 45 -8.255 -6.548 -5.983 1.00 1.44 C ATOM 701 CE LYS A 45 -9.503 -5.703 -6.205 1.00 1.92 C ATOM 702 NZ LYS A 45 -10.747 -6.472 -5.930 1.00 2.16 N ATOM 0 H LYS A 45 -4.207 -8.114 -6.762 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.204 -5.550 -7.471 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -6.008 -7.565 -5.817 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.321 -6.475 -4.630 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -7.184 -5.216 -4.678 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -6.945 -4.890 -6.383 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -8.050 -7.135 -6.878 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -8.434 -7.255 -5.173 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -9.468 -4.826 -5.559 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -9.519 -5.341 -7.233 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -11.574 -5.863 -6.092 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -10.793 -7.295 -6.564 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -10.744 -6.796 -4.942 1.00 2.16 H new ATOM 716 N VAL A 46 -2.708 -5.661 -5.314 1.00 0.17 N ATOM 717 CA VAL A 46 -1.650 -4.881 -4.656 1.00 0.15 C ATOM 718 C VAL A 46 -0.747 -4.193 -5.689 1.00 0.15 C ATOM 719 O VAL A 46 -0.455 -3.002 -5.571 1.00 0.20 O ATOM 720 CB VAL A 46 -0.831 -5.787 -3.704 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.538 -5.200 -3.396 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.615 -6.005 -2.413 1.00 0.22 C ATOM 0 H VAL A 46 -2.609 -6.669 -5.196 1.00 0.17 H new ATOM 0 HA VAL A 46 -2.117 -4.096 -4.061 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.667 -6.742 -4.204 1.00 0.18 H new ATOM 0 HG11 VAL A 46 1.078 -5.868 -2.725 1.00 0.23 H new ATOM 0 HG12 VAL A 46 1.101 -5.083 -4.322 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.418 -4.227 -2.920 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -1.040 -6.643 -1.741 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -1.799 -5.044 -1.932 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.567 -6.484 -2.642 1.00 0.22 H new ATOM 732 N SER A 47 -0.350 -4.937 -6.719 1.00 0.17 N ATOM 733 CA SER A 47 0.490 -4.402 -7.791 1.00 0.21 C ATOM 734 C SER A 47 -0.270 -3.369 -8.634 1.00 0.22 C ATOM 735 O SER A 47 0.303 -2.359 -9.058 1.00 0.24 O ATOM 736 CB SER A 47 1.001 -5.548 -8.670 1.00 0.29 C ATOM 737 OG SER A 47 1.870 -6.403 -7.944 1.00 1.26 O ATOM 0 H SER A 47 -0.598 -5.920 -6.835 1.00 0.17 H new ATOM 0 HA SER A 47 1.341 -3.892 -7.339 1.00 0.21 H new ATOM 0 HB2 SER A 47 0.156 -6.122 -9.051 1.00 0.29 H new ATOM 0 HB3 SER A 47 1.526 -5.141 -9.534 1.00 0.29 H new ATOM 0 HG SER A 47 1.342 -6.990 -7.364 1.00 1.26 H new ATOM 743 N ARG A 48 -1.578 -3.591 -8.824 1.00 0.23 N ATOM 744 CA ARG A 48 -2.428 -2.638 -9.553 1.00 0.26 C ATOM 745 C ARG A 48 -2.645 -1.372 -8.718 1.00 0.20 C ATOM 746 O ARG A 48 -2.555 -0.260 -9.237 1.00 0.22 O ATOM 747 CB ARG A 48 -3.782 -3.270 -9.932 1.00 0.32 C ATOM 748 CG ARG A 48 -3.738 -4.057 -11.240 1.00 0.41 C ATOM 749 CD ARG A 48 -4.992 -3.839 -12.077 1.00 1.03 C ATOM 750 NE ARG A 48 -6.194 -4.348 -11.414 1.00 1.58 N ATOM 751 CZ ARG A 48 -7.437 -4.040 -11.780 1.00 2.32 C ATOM 752 NH1 ARG A 48 -7.652 -3.198 -12.790 1.00 2.75 N ATOM 753 NH2 ARG A 48 -8.463 -4.558 -11.122 1.00 3.20 N ATOM 0 H ARG A 48 -2.069 -4.418 -8.485 1.00 0.23 H new ATOM 0 HA ARG A 48 -1.915 -2.369 -10.476 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.103 -3.933 -9.128 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.532 -2.483 -10.015 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -2.862 -3.757 -11.815 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -3.628 -5.119 -11.021 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -5.113 -2.774 -12.277 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -4.874 -4.333 -13.041 1.00 1.03 H new ATOM 0 HE ARG A 48 -6.072 -4.978 -10.622 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -6.863 -2.786 -13.287 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -8.606 -2.966 -13.066 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -8.300 -5.190 -10.338 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -9.417 -4.325 -11.399 1.00 3.20 H new ATOM 767 N MET A 49 -2.871 -1.551 -7.412 1.00 0.17 N ATOM 768 CA MET A 49 -3.045 -0.424 -6.487 1.00 0.16 C ATOM 769 C MET A 49 -1.756 0.409 -6.386 1.00 0.13 C ATOM 770 O MET A 49 -1.817 1.631 -6.341 1.00 0.14 O ATOM 771 CB MET A 49 -3.481 -0.921 -5.097 1.00 0.18 C ATOM 772 CG MET A 49 -4.963 -1.273 -5.012 1.00 0.27 C ATOM 773 SD MET A 49 -5.389 -2.155 -3.503 1.00 1.49 S ATOM 774 CE MET A 49 -5.686 -0.793 -2.375 1.00 2.00 C ATOM 0 H MET A 49 -2.938 -2.468 -6.970 1.00 0.17 H new ATOM 0 HA MET A 49 -3.832 0.218 -6.883 1.00 0.16 H new ATOM 0 HB2 MET A 49 -2.892 -1.799 -4.833 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.256 -0.152 -4.358 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.552 -0.358 -5.070 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.236 -1.883 -5.873 1.00 0.27 H new ATOM 0 HE1 MET A 49 -5.505 -1.122 -1.352 1.00 2.00 H new ATOM 0 HE2 MET A 49 -5.015 0.032 -2.615 1.00 2.00 H new ATOM 0 HE3 MET A 49 -6.719 -0.460 -2.471 1.00 2.00 H new ATOM 784 N LEU A 50 -0.592 -0.256 -6.428 1.00 0.13 N ATOM 785 CA LEU A 50 0.711 0.435 -6.407 1.00 0.14 C ATOM 786 C LEU A 50 0.869 1.359 -7.626 1.00 0.17 C ATOM 787 O LEU A 50 1.231 2.530 -7.486 1.00 0.21 O ATOM 788 CB LEU A 50 1.872 -0.580 -6.353 1.00 0.18 C ATOM 789 CG LEU A 50 2.267 -1.032 -4.939 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.922 -2.408 -4.960 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.185 -0.016 -4.280 1.00 0.32 C ATOM 0 H LEU A 50 -0.524 -1.273 -6.477 1.00 0.13 H new ATOM 0 HA LEU A 50 0.744 1.048 -5.506 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.595 -1.458 -6.936 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.744 -0.139 -6.835 1.00 0.18 H new ATOM 0 HG LEU A 50 1.353 -1.103 -4.350 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.190 -2.699 -3.944 1.00 0.33 H new ATOM 0 HD12 LEU A 50 2.225 -3.136 -5.374 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.820 -2.374 -5.576 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.450 -0.360 -3.280 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.090 0.097 -4.876 1.00 0.32 H new ATOM 0 HD23 LEU A 50 2.674 0.944 -4.210 1.00 0.32 H new ATOM 803 N THR A 51 0.546 0.832 -8.811 1.00 0.19 N ATOM 804 CA THR A 51 0.629 1.600 -10.064 1.00 0.23 C ATOM 805 C THR A 51 -0.480 2.670 -10.149 1.00 0.24 C ATOM 806 O THR A 51 -0.244 3.784 -10.622 1.00 0.32 O ATOM 807 CB THR A 51 0.551 0.649 -11.279 1.00 0.28 C ATOM 808 OG1 THR A 51 1.235 -0.573 -11.019 1.00 0.35 O ATOM 809 CG2 THR A 51 1.145 1.237 -12.547 1.00 0.34 C ATOM 0 H THR A 51 0.223 -0.128 -8.932 1.00 0.19 H new ATOM 0 HA THR A 51 1.589 2.116 -10.075 1.00 0.23 H new ATOM 0 HB THR A 51 -0.515 0.482 -11.434 1.00 0.28 H new ATOM 0 HG1 THR A 51 0.690 -1.134 -10.428 1.00 0.35 H new ATOM 0 HG21 THR A 51 1.056 0.515 -13.359 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.609 2.148 -12.811 1.00 0.34 H new ATOM 0 HG23 THR A 51 2.197 1.470 -12.382 1.00 0.34 H new ATOM 817 N LYS A 52 -1.679 2.323 -9.666 1.00 0.20 N ATOM 818 CA LYS A 52 -2.836 3.229 -9.676 1.00 0.22 C ATOM 819 C LYS A 52 -2.655 4.387 -8.690 1.00 0.24 C ATOM 820 O LYS A 52 -2.889 5.546 -9.031 1.00 0.32 O ATOM 821 CB LYS A 52 -4.115 2.435 -9.333 1.00 0.22 C ATOM 822 CG LYS A 52 -5.422 3.175 -9.632 1.00 0.32 C ATOM 823 CD LYS A 52 -5.864 4.093 -8.487 1.00 0.46 C ATOM 824 CE LYS A 52 -7.110 3.576 -7.778 1.00 0.74 C ATOM 825 NZ LYS A 52 -8.291 3.533 -8.681 1.00 1.23 N ATOM 0 H LYS A 52 -1.875 1.409 -9.258 1.00 0.20 H new ATOM 0 HA LYS A 52 -2.924 3.658 -10.674 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -4.107 1.499 -9.891 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -4.093 2.175 -8.275 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -5.299 3.767 -10.539 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -6.208 2.447 -9.831 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -5.052 4.188 -7.766 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -6.060 5.091 -8.879 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -6.916 2.577 -7.388 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -7.331 4.215 -6.923 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -9.163 3.561 -8.114 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -8.268 4.352 -9.322 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -8.269 2.656 -9.239 1.00 1.23 H new ATOM 839 N PHE A 53 -2.274 4.058 -7.457 1.00 0.23 N ATOM 840 CA PHE A 53 -2.110 5.050 -6.390 1.00 0.27 C ATOM 841 C PHE A 53 -0.892 5.951 -6.648 1.00 0.31 C ATOM 842 O PHE A 53 -0.933 7.150 -6.370 1.00 0.49 O ATOM 843 CB PHE A 53 -1.979 4.358 -5.017 1.00 0.25 C ATOM 844 CG PHE A 53 -3.270 3.811 -4.449 1.00 0.27 C ATOM 845 CD1 PHE A 53 -4.200 3.149 -5.241 1.00 1.13 C ATOM 846 CD2 PHE A 53 -3.530 3.938 -3.103 1.00 1.24 C ATOM 847 CE1 PHE A 53 -5.366 2.647 -4.695 1.00 1.13 C ATOM 848 CE2 PHE A 53 -4.692 3.439 -2.550 1.00 1.27 C ATOM 849 CZ PHE A 53 -5.613 2.794 -3.350 1.00 0.37 C ATOM 0 H PHE A 53 -2.070 3.101 -7.168 1.00 0.23 H new ATOM 0 HA PHE A 53 -3.001 5.677 -6.383 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -1.264 3.540 -5.106 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.561 5.071 -4.306 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -4.009 3.025 -6.297 1.00 1.13 H new ATOM 0 HD2 PHE A 53 -2.812 4.437 -2.469 1.00 1.24 H new ATOM 0 HE1 PHE A 53 -6.083 2.140 -5.324 1.00 1.13 H new ATOM 0 HE2 PHE A 53 -4.880 3.553 -1.493 1.00 1.27 H new ATOM 0 HZ PHE A 53 -6.525 2.406 -2.921 1.00 0.37 H new ATOM 859 N GLY A 54 0.175 5.367 -7.199 1.00 0.27 N ATOM 860 CA GLY A 54 1.389 6.118 -7.501 1.00 0.32 C ATOM 861 C GLY A 54 2.416 6.038 -6.383 1.00 0.28 C ATOM 862 O GLY A 54 2.865 7.063 -5.866 1.00 0.32 O ATOM 0 H GLY A 54 0.220 4.378 -7.444 1.00 0.27 H new ATOM 0 HA2 GLY A 54 1.829 5.736 -8.422 1.00 0.32 H new ATOM 0 HA3 GLY A 54 1.132 7.162 -7.680 1.00 0.32 H new ATOM 866 N ALA A 55 2.761 4.810 -5.984 1.00 0.25 N ATOM 867 CA ALA A 55 3.759 4.583 -4.931 1.00 0.24 C ATOM 868 C ALA A 55 5.185 4.676 -5.488 1.00 0.25 C ATOM 869 O ALA A 55 5.419 4.421 -6.671 1.00 0.43 O ATOM 870 CB ALA A 55 3.530 3.230 -4.254 1.00 0.30 C ATOM 0 H ALA A 55 2.364 3.956 -6.374 1.00 0.25 H new ATOM 0 HA ALA A 55 3.641 5.367 -4.183 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.280 3.080 -3.477 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.536 3.210 -3.808 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.611 2.434 -4.994 1.00 0.30 H new ATOM 876 N VAL A 56 6.132 5.013 -4.615 1.00 0.22 N ATOM 877 CA VAL A 56 7.549 5.113 -4.981 1.00 0.26 C ATOM 878 C VAL A 56 8.411 4.296 -4.009 1.00 0.26 C ATOM 879 O VAL A 56 7.978 3.978 -2.903 1.00 0.39 O ATOM 880 CB VAL A 56 8.029 6.590 -5.003 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.290 7.378 -6.080 1.00 0.55 C ATOM 882 CG2 VAL A 56 7.853 7.258 -3.639 1.00 0.44 C ATOM 0 H VAL A 56 5.943 5.225 -3.635 1.00 0.22 H new ATOM 0 HA VAL A 56 7.659 4.707 -5.987 1.00 0.26 H new ATOM 0 HB VAL A 56 9.093 6.587 -5.238 1.00 0.34 H new ATOM 0 HG11 VAL A 56 7.640 8.410 -6.080 1.00 0.55 H new ATOM 0 HG12 VAL A 56 7.482 6.930 -7.055 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.220 7.358 -5.876 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.199 8.290 -3.692 1.00 0.44 H new ATOM 0 HG22 VAL A 56 6.800 7.243 -3.359 1.00 0.44 H new ATOM 0 HG23 VAL A 56 8.435 6.718 -2.892 1.00 0.44 H new ATOM 892 N ARG A 57 9.620 3.928 -4.441 1.00 0.39 N ATOM 893 CA ARG A 57 10.546 3.155 -3.603 1.00 0.41 C ATOM 894 C ARG A 57 11.619 4.077 -3.014 1.00 0.46 C ATOM 895 O ARG A 57 12.178 4.919 -3.725 1.00 0.58 O ATOM 896 CB ARG A 57 11.194 2.026 -4.422 1.00 0.48 C ATOM 897 CG ARG A 57 10.187 1.078 -5.071 1.00 0.65 C ATOM 898 CD ARG A 57 10.871 0.000 -5.904 1.00 0.87 C ATOM 899 NE ARG A 57 11.873 -0.755 -5.134 1.00 0.83 N ATOM 900 CZ ARG A 57 13.191 -0.720 -5.357 1.00 1.10 C ATOM 901 NH1 ARG A 57 13.702 0.055 -6.308 1.00 1.87 N ATOM 902 NH2 ARG A 57 13.995 -1.447 -4.595 1.00 1.34 N ATOM 0 H ARG A 57 9.983 4.152 -5.368 1.00 0.39 H new ATOM 0 HA ARG A 57 9.986 2.706 -2.783 1.00 0.41 H new ATOM 0 HB2 ARG A 57 11.818 2.466 -5.200 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.853 1.451 -3.772 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.581 0.608 -4.297 1.00 0.65 H new ATOM 0 HG3 ARG A 57 9.508 1.649 -5.704 1.00 0.65 H new ATOM 0 HD2 ARG A 57 10.119 -0.689 -6.290 1.00 0.87 H new ATOM 0 HD3 ARG A 57 11.352 0.462 -6.766 1.00 0.87 H new ATOM 0 HE ARG A 57 11.537 -1.348 -4.375 1.00 0.83 H new ATOM 0 HH11 ARG A 57 13.087 0.634 -6.880 1.00 1.87 H new ATOM 0 HH12 ARG A 57 14.710 0.071 -6.466 1.00 1.87 H new ATOM 0 HH21 ARG A 57 13.607 -2.024 -3.849 1.00 1.34 H new ATOM 0 HH22 ARG A 57 15.002 -1.430 -4.754 1.00 1.34 H new ATOM 916 N THR A 58 11.897 3.934 -1.717 1.00 0.44 N ATOM 917 CA THR A 58 12.900 4.779 -1.053 1.00 0.54 C ATOM 918 C THR A 58 13.499 4.078 0.176 1.00 0.50 C ATOM 919 O THR A 58 12.953 3.090 0.674 1.00 0.44 O ATOM 920 CB THR A 58 12.270 6.144 -0.669 1.00 0.69 C ATOM 921 OG1 THR A 58 13.216 7.196 -0.793 1.00 1.32 O ATOM 922 CG2 THR A 58 11.700 6.205 0.738 1.00 1.17 C ATOM 0 H THR A 58 11.449 3.249 -1.108 1.00 0.44 H new ATOM 0 HA THR A 58 13.718 4.956 -1.751 1.00 0.54 H new ATOM 0 HB THR A 58 11.444 6.261 -1.370 1.00 0.69 H new ATOM 0 HG1 THR A 58 12.794 8.046 -0.547 1.00 1.32 H new ATOM 0 HG21 THR A 58 11.281 7.195 0.918 1.00 1.17 H new ATOM 0 HG22 THR A 58 10.917 5.455 0.846 1.00 1.17 H new ATOM 0 HG23 THR A 58 12.492 6.009 1.460 1.00 1.17 H new ATOM 930 N ARG A 59 14.625 4.605 0.663 1.00 0.59 N ATOM 931 CA ARG A 59 15.287 4.067 1.855 1.00 0.63 C ATOM 932 C ARG A 59 14.585 4.572 3.120 1.00 0.69 C ATOM 933 O ARG A 59 14.417 5.782 3.299 1.00 0.83 O ATOM 934 CB ARG A 59 16.777 4.469 1.877 1.00 0.78 C ATOM 935 CG ARG A 59 17.734 3.289 2.016 1.00 1.38 C ATOM 936 CD ARG A 59 19.050 3.692 2.688 1.00 1.32 C ATOM 937 NE ARG A 59 19.919 4.474 1.798 1.00 1.45 N ATOM 938 CZ ARG A 59 19.953 5.810 1.747 1.00 1.72 C ATOM 939 NH1 ARG A 59 19.170 6.540 2.538 1.00 2.35 N ATOM 940 NH2 ARG A 59 20.777 6.417 0.905 1.00 2.08 N ATOM 0 H ARG A 59 15.099 5.407 0.248 1.00 0.59 H new ATOM 0 HA ARG A 59 15.224 2.979 1.825 1.00 0.63 H new ATOM 0 HB2 ARG A 59 17.011 5.008 0.959 1.00 0.78 H new ATOM 0 HB3 ARG A 59 16.945 5.159 2.704 1.00 0.78 H new ATOM 0 HG2 ARG A 59 17.256 2.502 2.599 1.00 1.38 H new ATOM 0 HG3 ARG A 59 17.943 2.874 1.030 1.00 1.38 H new ATOM 0 HD2 ARG A 59 18.834 4.275 3.583 1.00 1.32 H new ATOM 0 HD3 ARG A 59 19.579 2.795 3.011 1.00 1.32 H new ATOM 0 HE ARG A 59 20.541 3.961 1.174 1.00 1.45 H new ATOM 0 HH11 ARG A 59 18.536 6.081 3.192 1.00 2.35 H new ATOM 0 HH12 ARG A 59 19.204 7.558 2.490 1.00 2.35 H new ATOM 0 HH21 ARG A 59 21.383 5.865 0.298 1.00 2.08 H new ATOM 0 HH22 ARG A 59 20.805 7.436 0.864 1.00 2.08 H new ATOM 954 N ASN A 60 14.169 3.645 3.986 1.00 0.68 N ATOM 955 CA ASN A 60 13.470 3.997 5.234 1.00 0.81 C ATOM 956 C ASN A 60 14.457 4.344 6.360 1.00 0.95 C ATOM 957 O ASN A 60 15.670 4.415 6.147 1.00 1.04 O ATOM 958 CB ASN A 60 12.507 2.863 5.663 1.00 0.82 C ATOM 959 CG ASN A 60 13.184 1.530 5.984 1.00 0.78 C ATOM 960 OD1 ASN A 60 14.410 1.436 6.058 1.00 1.00 O ATOM 961 ND2 ASN A 60 12.381 0.493 6.183 1.00 0.83 N ATOM 0 H ASN A 60 14.302 2.643 3.850 1.00 0.68 H new ATOM 0 HA ASN A 60 12.877 4.891 5.039 1.00 0.81 H new ATOM 0 HB2 ASN A 60 11.950 3.192 6.541 1.00 0.82 H new ATOM 0 HB3 ASN A 60 11.781 2.702 4.866 1.00 0.82 H new ATOM 0 HD21 ASN A 60 12.774 -0.421 6.406 1.00 0.83 H new ATOM 0 HD22 ASN A 60 11.370 0.610 6.113 1.00 0.83 H new ATOM 968 N ALA A 61 13.917 4.545 7.568 1.00 1.04 N ATOM 969 CA ALA A 61 14.716 4.907 8.749 1.00 1.20 C ATOM 970 C ALA A 61 15.782 3.852 9.086 1.00 1.20 C ATOM 971 O ALA A 61 16.808 4.175 9.690 1.00 1.38 O ATOM 972 CB ALA A 61 13.799 5.133 9.949 1.00 1.32 C ATOM 0 H ALA A 61 12.918 4.462 7.756 1.00 1.04 H new ATOM 0 HA ALA A 61 15.245 5.830 8.511 1.00 1.20 H new ATOM 0 HB1 ALA A 61 14.398 5.401 10.819 1.00 1.32 H new ATOM 0 HB2 ALA A 61 13.101 5.940 9.727 1.00 1.32 H new ATOM 0 HB3 ALA A 61 13.242 4.220 10.159 1.00 1.32 H new ATOM 978 N LYS A 62 15.530 2.597 8.697 1.00 1.07 N ATOM 979 CA LYS A 62 16.476 1.498 8.933 1.00 1.12 C ATOM 980 C LYS A 62 17.300 1.177 7.677 1.00 1.01 C ATOM 981 O LYS A 62 17.761 0.046 7.511 1.00 1.02 O ATOM 982 CB LYS A 62 15.737 0.239 9.397 1.00 1.21 C ATOM 983 CG LYS A 62 15.059 0.384 10.757 1.00 1.40 C ATOM 984 CD LYS A 62 13.622 0.895 10.643 1.00 2.00 C ATOM 985 CE LYS A 62 12.693 0.205 11.639 1.00 2.34 C ATOM 986 NZ LYS A 62 12.685 -1.273 11.469 1.00 2.62 N ATOM 0 H LYS A 62 14.676 2.316 8.216 1.00 1.07 H new ATOM 0 HA LYS A 62 17.160 1.826 9.716 1.00 1.12 H new ATOM 0 HB2 LYS A 62 14.985 -0.023 8.653 1.00 1.21 H new ATOM 0 HB3 LYS A 62 16.444 -0.590 9.441 1.00 1.21 H new ATOM 0 HG2 LYS A 62 15.059 -0.581 11.264 1.00 1.40 H new ATOM 0 HG3 LYS A 62 15.637 1.070 11.376 1.00 1.40 H new ATOM 0 HD2 LYS A 62 13.604 1.971 10.815 1.00 2.00 H new ATOM 0 HD3 LYS A 62 13.256 0.728 9.630 1.00 2.00 H new ATOM 0 HE2 LYS A 62 13.005 0.451 12.654 1.00 2.34 H new ATOM 0 HE3 LYS A 62 11.680 0.589 11.515 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 11.768 -1.653 11.780 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 12.835 -1.508 10.467 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 13.446 -1.692 12.041 1.00 2.62 H new ATOM 1000 N MET A 63 17.522 2.196 6.837 1.00 0.97 N ATOM 1001 CA MET A 63 18.321 2.097 5.597 1.00 0.94 C ATOM 1002 C MET A 63 17.983 0.877 4.722 1.00 0.80 C ATOM 1003 O MET A 63 18.882 0.255 4.146 1.00 0.86 O ATOM 1004 CB MET A 63 19.833 2.130 5.898 1.00 1.12 C ATOM 1005 CG MET A 63 20.307 1.127 6.949 1.00 1.30 C ATOM 1006 SD MET A 63 22.095 1.164 7.179 1.00 2.18 S ATOM 1007 CE MET A 63 22.257 0.452 8.815 1.00 3.12 C ATOM 0 H MET A 63 17.147 3.131 6.998 1.00 0.97 H new ATOM 0 HA MET A 63 18.046 2.977 5.016 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.376 1.946 4.971 1.00 1.12 H new ATOM 0 HB3 MET A 63 20.100 3.133 6.230 1.00 1.12 H new ATOM 0 HG2 MET A 63 19.817 1.341 7.899 1.00 1.30 H new ATOM 0 HG3 MET A 63 20.002 0.123 6.653 1.00 1.30 H new ATOM 0 HE1 MET A 63 23.311 0.411 9.091 1.00 3.12 H new ATOM 0 HE2 MET A 63 21.716 1.067 9.535 1.00 3.12 H new ATOM 0 HE3 MET A 63 21.843 -0.556 8.816 1.00 3.12 H new ATOM 1017 N GLU A 64 16.694 0.602 4.542 1.00 0.73 N ATOM 1018 CA GLU A 64 16.251 -0.497 3.682 1.00 0.64 C ATOM 1019 C GLU A 64 15.371 0.038 2.547 1.00 0.52 C ATOM 1020 O GLU A 64 14.545 0.928 2.763 1.00 0.49 O ATOM 1021 CB GLU A 64 15.473 -1.543 4.495 1.00 0.70 C ATOM 1022 CG GLU A 64 16.262 -2.138 5.665 1.00 0.88 C ATOM 1023 CD GLU A 64 16.155 -3.650 5.753 1.00 1.35 C ATOM 1024 OE1 GLU A 64 15.059 -4.190 5.502 1.00 2.03 O ATOM 1025 OE2 GLU A 64 17.164 -4.302 6.074 1.00 1.79 O ATOM 0 H GLU A 64 15.935 1.125 4.980 1.00 0.73 H new ATOM 0 HA GLU A 64 17.134 -0.972 3.255 1.00 0.64 H new ATOM 0 HB2 GLU A 64 14.563 -1.084 4.881 1.00 0.70 H new ATOM 0 HB3 GLU A 64 15.166 -2.350 3.830 1.00 0.70 H new ATOM 0 HG2 GLU A 64 17.311 -1.860 5.566 1.00 0.88 H new ATOM 0 HG3 GLU A 64 15.903 -1.700 6.596 1.00 0.88 H new ATOM 1032 N MET A 65 15.550 -0.512 1.339 1.00 0.52 N ATOM 1033 CA MET A 65 14.774 -0.090 0.161 1.00 0.48 C ATOM 1034 C MET A 65 13.343 -0.636 0.221 1.00 0.43 C ATOM 1035 O MET A 65 13.094 -1.779 -0.172 1.00 0.62 O ATOM 1036 CB MET A 65 15.461 -0.570 -1.134 1.00 0.58 C ATOM 1037 CG MET A 65 16.784 0.129 -1.436 1.00 0.71 C ATOM 1038 SD MET A 65 16.851 0.826 -3.103 1.00 1.38 S ATOM 1039 CE MET A 65 15.604 2.111 -2.989 1.00 1.18 C ATOM 0 H MET A 65 16.226 -1.252 1.150 1.00 0.52 H new ATOM 0 HA MET A 65 14.730 0.999 0.161 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.638 -1.643 -1.062 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.781 -0.415 -1.972 1.00 0.58 H new ATOM 0 HG2 MET A 65 16.942 0.925 -0.709 1.00 0.71 H new ATOM 0 HG3 MET A 65 17.601 -0.582 -1.313 1.00 0.71 H new ATOM 0 HE1 MET A 65 15.720 2.806 -3.821 1.00 1.18 H new ATOM 0 HE2 MET A 65 14.612 1.660 -3.028 1.00 1.18 H new ATOM 0 HE3 MET A 65 15.721 2.649 -2.048 1.00 1.18 H new ATOM 1049 N VAL A 66 12.408 0.184 0.710 1.00 0.32 N ATOM 1050 CA VAL A 66 11.003 -0.212 0.825 1.00 0.28 C ATOM 1051 C VAL A 66 10.084 0.716 0.020 1.00 0.25 C ATOM 1052 O VAL A 66 10.522 1.710 -0.562 1.00 0.30 O ATOM 1053 CB VAL A 66 10.540 -0.237 2.309 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.157 -1.419 3.049 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.891 1.071 3.011 1.00 0.31 C ATOM 0 H VAL A 66 12.602 1.132 1.034 1.00 0.32 H new ATOM 0 HA VAL A 66 10.930 -1.219 0.413 1.00 0.28 H new ATOM 0 HB VAL A 66 9.456 -0.351 2.319 1.00 0.29 H new ATOM 0 HG11 VAL A 66 10.819 -1.416 4.085 1.00 0.32 H new ATOM 0 HG12 VAL A 66 10.850 -2.349 2.570 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.244 -1.338 3.022 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.557 1.029 4.048 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.970 1.220 2.984 1.00 0.31 H new ATOM 0 HG23 VAL A 66 10.397 1.900 2.504 1.00 0.31 H new ATOM 1065 N TYR A 67 8.803 0.363 -0.005 1.00 0.23 N ATOM 1066 CA TYR A 67 7.768 1.140 -0.678 1.00 0.22 C ATOM 1067 C TYR A 67 7.286 2.281 0.214 1.00 0.23 C ATOM 1068 O TYR A 67 7.160 2.123 1.431 1.00 0.36 O ATOM 1069 CB TYR A 67 6.568 0.237 -1.032 1.00 0.22 C ATOM 1070 CG TYR A 67 6.645 -0.416 -2.395 1.00 0.20 C ATOM 1071 CD1 TYR A 67 7.018 0.312 -3.516 1.00 1.16 C ATOM 1072 CD2 TYR A 67 6.287 -1.747 -2.566 1.00 1.15 C ATOM 1073 CE1 TYR A 67 7.067 -0.273 -4.763 1.00 1.13 C ATOM 1074 CE2 TYR A 67 6.331 -2.345 -3.812 1.00 1.19 C ATOM 1075 CZ TYR A 67 6.723 -1.600 -4.909 1.00 0.26 C ATOM 1076 OH TYR A 67 6.770 -2.181 -6.155 1.00 0.32 O ATOM 0 H TYR A 67 8.450 -0.481 0.447 1.00 0.23 H new ATOM 0 HA TYR A 67 8.197 1.554 -1.590 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.483 -0.543 -0.275 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.656 0.832 -0.981 1.00 0.22 H new ATOM 0 HD1 TYR A 67 7.274 1.356 -3.409 1.00 1.16 H new ATOM 0 HD2 TYR A 67 5.969 -2.325 -1.711 1.00 1.15 H new ATOM 0 HE1 TYR A 67 7.374 0.306 -5.622 1.00 1.13 H new ATOM 0 HE2 TYR A 67 6.062 -3.384 -3.927 1.00 1.19 H new ATOM 0 HH TYR A 67 6.425 -3.097 -6.102 1.00 0.32 H new ATOM 1086 N CYS A 68 6.958 3.399 -0.411 1.00 0.17 N ATOM 1087 CA CYS A 68 6.432 4.564 0.290 1.00 0.17 C ATOM 1088 C CYS A 68 5.529 5.365 -0.643 1.00 0.20 C ATOM 1089 O CYS A 68 5.439 5.076 -1.841 1.00 0.27 O ATOM 1090 CB CYS A 68 7.573 5.444 0.816 1.00 0.16 C ATOM 1091 SG CYS A 68 8.761 5.967 -0.446 1.00 1.61 S ATOM 0 H CYS A 68 7.048 3.527 -1.419 1.00 0.17 H new ATOM 0 HA CYS A 68 5.848 4.223 1.144 1.00 0.17 H new ATOM 0 HB2 CYS A 68 7.145 6.331 1.284 1.00 0.16 H new ATOM 0 HB3 CYS A 68 8.106 4.899 1.595 1.00 0.16 H new ATOM 0 HG CYS A 68 8.633 5.217 -1.500 1.00 1.61 H new ATOM 1097 N LEU A 69 4.852 6.368 -0.096 1.00 0.21 N ATOM 1098 CA LEU A 69 3.951 7.201 -0.885 1.00 0.25 C ATOM 1099 C LEU A 69 4.450 8.642 -0.948 1.00 0.30 C ATOM 1100 O LEU A 69 4.907 9.184 0.061 1.00 0.41 O ATOM 1101 CB LEU A 69 2.543 7.162 -0.273 1.00 0.36 C ATOM 1102 CG LEU A 69 1.399 7.260 -1.282 1.00 0.48 C ATOM 1103 CD1 LEU A 69 1.410 6.063 -2.226 1.00 0.61 C ATOM 1104 CD2 LEU A 69 0.069 7.364 -0.559 1.00 0.94 C ATOM 0 H LEU A 69 4.909 6.624 0.890 1.00 0.21 H new ATOM 0 HA LEU A 69 3.920 6.808 -1.901 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.433 6.235 0.290 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.450 7.981 0.440 1.00 0.36 H new ATOM 0 HG LEU A 69 1.539 8.161 -1.879 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.588 6.152 -2.936 1.00 0.61 H new ATOM 0 HD12 LEU A 69 2.356 6.035 -2.767 1.00 0.61 H new ATOM 0 HD13 LEU A 69 1.294 5.145 -1.650 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.738 7.433 -1.289 1.00 0.94 H new ATOM 0 HD22 LEU A 69 -0.078 6.480 0.061 1.00 0.94 H new ATOM 0 HD23 LEU A 69 0.066 8.254 0.071 1.00 0.94 H new ATOM 1116 N PRO A 70 4.316 9.319 -2.116 1.00 0.37 N ATOM 1117 CA PRO A 70 4.686 10.740 -2.254 1.00 0.51 C ATOM 1118 C PRO A 70 3.797 11.650 -1.388 1.00 0.71 C ATOM 1119 O PRO A 70 3.119 11.192 -0.464 1.00 1.00 O ATOM 1120 CB PRO A 70 4.455 11.036 -3.751 1.00 0.70 C ATOM 1121 CG PRO A 70 4.411 9.699 -4.404 1.00 0.64 C ATOM 1122 CD PRO A 70 3.793 8.780 -3.390 1.00 0.41 C ATOM 0 HA PRO A 70 5.708 10.929 -1.926 1.00 0.51 H new ATOM 0 HB2 PRO A 70 3.525 11.582 -3.907 1.00 0.70 H new ATOM 0 HB3 PRO A 70 5.257 11.649 -4.161 1.00 0.70 H new ATOM 0 HG2 PRO A 70 3.820 9.728 -5.319 1.00 0.64 H new ATOM 0 HG3 PRO A 70 5.411 9.364 -4.680 1.00 0.64 H new ATOM 0 HD2 PRO A 70 2.704 8.808 -3.427 1.00 0.41 H new ATOM 0 HD3 PRO A 70 4.091 7.743 -3.546 1.00 0.41 H new ATOM 1130 N ALA A 71 3.741 12.926 -1.748 1.00 0.96 N ATOM 1131 CA ALA A 71 2.920 13.910 -1.032 1.00 1.23 C ATOM 1132 C ALA A 71 1.437 13.803 -1.414 1.00 1.34 C ATOM 1133 O ALA A 71 0.781 14.808 -1.691 1.00 1.89 O ATOM 1134 CB ALA A 71 3.438 15.305 -1.327 1.00 1.66 C ATOM 0 H ALA A 71 4.257 13.312 -2.538 1.00 0.96 H new ATOM 0 HA ALA A 71 2.995 13.704 0.036 1.00 1.23 H new ATOM 0 HB1 ALA A 71 2.830 16.038 -0.797 1.00 1.66 H new ATOM 0 HB2 ALA A 71 4.474 15.386 -0.998 1.00 1.66 H new ATOM 0 HB3 ALA A 71 3.382 15.495 -2.399 1.00 1.66 H new ATOM 1140 N GLU A 72 0.941 12.568 -1.435 1.00 1.48 N ATOM 1141 CA GLU A 72 -0.453 12.240 -1.758 1.00 1.76 C ATOM 1142 C GLU A 72 -0.839 12.695 -3.175 1.00 1.89 C ATOM 1143 O GLU A 72 -1.188 13.858 -3.395 1.00 2.17 O ATOM 1144 CB GLU A 72 -1.397 12.839 -0.710 1.00 2.19 C ATOM 1145 CG GLU A 72 -1.129 12.359 0.718 1.00 2.59 C ATOM 1146 CD GLU A 72 -1.563 10.926 0.978 1.00 3.17 C ATOM 1147 OE1 GLU A 72 -2.210 10.321 0.102 1.00 3.59 O ATOM 1148 OE2 GLU A 72 -1.285 10.422 2.081 1.00 3.75 O ATOM 0 H GLU A 72 1.507 11.746 -1.224 1.00 1.48 H new ATOM 0 HA GLU A 72 -0.551 11.155 -1.737 1.00 1.76 H new ATOM 0 HB2 GLU A 72 -1.312 13.925 -0.739 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -2.424 12.592 -0.978 1.00 2.19 H new ATOM 0 HG2 GLU A 72 -0.063 12.449 0.927 1.00 2.59 H new ATOM 0 HG3 GLU A 72 -1.647 13.017 1.415 1.00 2.59 H new ATOM 1155 N LEU A 73 -0.785 11.766 -4.134 1.00 2.03 N ATOM 1156 CA LEU A 73 -1.125 12.062 -5.532 1.00 2.45 C ATOM 1157 C LEU A 73 -2.642 12.011 -5.758 1.00 3.07 C ATOM 1158 O LEU A 73 -3.153 11.131 -6.454 1.00 3.39 O ATOM 1159 CB LEU A 73 -0.412 11.076 -6.474 1.00 2.45 C ATOM 1160 CG LEU A 73 1.122 11.180 -6.496 1.00 2.84 C ATOM 1161 CD1 LEU A 73 1.730 10.011 -7.262 1.00 3.20 C ATOM 1162 CD2 LEU A 73 1.562 12.506 -7.104 1.00 3.46 C ATOM 0 H LEU A 73 -0.508 10.798 -3.968 1.00 2.03 H new ATOM 0 HA LEU A 73 -0.786 13.074 -5.754 1.00 2.45 H new ATOM 0 HB2 LEU A 73 -0.687 10.061 -6.186 1.00 2.45 H new ATOM 0 HB3 LEU A 73 -0.785 11.232 -7.486 1.00 2.45 H new ATOM 0 HG LEU A 73 1.481 11.139 -5.468 1.00 2.84 H new ATOM 0 HD11 LEU A 73 2.816 10.104 -7.266 1.00 3.20 H new ATOM 0 HD12 LEU A 73 1.447 9.075 -6.781 1.00 3.20 H new ATOM 0 HD13 LEU A 73 1.362 10.017 -8.288 1.00 3.20 H new ATOM 0 HD21 LEU A 73 2.651 12.560 -7.110 1.00 3.46 H new ATOM 0 HD22 LEU A 73 1.189 12.579 -8.126 1.00 3.46 H new ATOM 0 HD23 LEU A 73 1.161 13.329 -6.512 1.00 3.46 H new ATOM 1174 N GLY A 74 -3.343 12.984 -5.183 1.00 3.54 N ATOM 1175 CA GLY A 74 -4.790 13.067 -5.316 1.00 4.27 C ATOM 1176 C GLY A 74 -5.328 14.310 -4.637 1.00 4.79 C ATOM 1177 O GLY A 74 -5.794 14.241 -3.500 1.00 5.47 O ATOM 0 H GLY A 74 -2.929 13.727 -4.620 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -5.062 13.079 -6.372 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -5.250 12.181 -4.878 1.00 4.27 H new ATOM 1181 N VAL A 75 -5.217 15.454 -5.327 1.00 4.77 N ATOM 1182 CA VAL A 75 -5.640 16.760 -4.797 1.00 5.51 C ATOM 1183 C VAL A 75 -4.641 17.252 -3.732 1.00 5.62 C ATOM 1184 O VAL A 75 -4.572 16.699 -2.633 1.00 5.34 O ATOM 1185 CB VAL A 75 -7.081 16.739 -4.208 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -7.618 18.158 -4.037 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -8.025 15.924 -5.086 1.00 6.50 C ATOM 0 H VAL A 75 -4.831 15.501 -6.270 1.00 4.77 H new ATOM 0 HA VAL A 75 -5.652 17.451 -5.640 1.00 5.51 H new ATOM 0 HB VAL A 75 -7.029 16.264 -3.228 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -8.626 18.118 -3.624 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -6.970 18.713 -3.359 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -7.642 18.657 -5.006 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -9.023 15.928 -4.648 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -8.064 16.362 -6.083 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -7.663 14.898 -5.155 1.00 6.50 H new ATOM 1197 N PRO A 76 -3.819 18.274 -4.059 1.00 6.42 N ATOM 1198 CA PRO A 76 -2.807 18.799 -3.127 1.00 6.97 C ATOM 1199 C PRO A 76 -3.431 19.576 -1.963 1.00 7.29 C ATOM 1200 O PRO A 76 -4.044 20.628 -2.168 1.00 7.83 O ATOM 1201 CB PRO A 76 -1.952 19.716 -4.011 1.00 7.90 C ATOM 1202 CG PRO A 76 -2.853 20.133 -5.123 1.00 8.03 C ATOM 1203 CD PRO A 76 -3.811 18.992 -5.351 1.00 7.16 C ATOM 0 HA PRO A 76 -2.236 18.003 -2.649 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -1.591 20.579 -3.451 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -1.074 19.192 -4.390 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -3.391 21.045 -4.865 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -2.281 20.345 -6.026 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -4.806 19.352 -5.615 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -3.479 18.347 -6.165 1.00 7.16 H new ATOM 1211 N THR A 77 -3.279 19.049 -0.746 1.00 7.25 N ATOM 1212 CA THR A 77 -3.842 19.676 0.455 1.00 7.86 C ATOM 1213 C THR A 77 -2.916 20.796 0.978 1.00 8.48 C ATOM 1214 O THR A 77 -2.328 20.696 2.058 1.00 8.73 O ATOM 1215 CB THR A 77 -4.106 18.586 1.531 1.00 7.90 C ATOM 1216 OG1 THR A 77 -4.897 19.100 2.595 1.00 8.72 O ATOM 1217 CG2 THR A 77 -2.853 17.946 2.135 1.00 7.87 C ATOM 0 H THR A 77 -2.768 18.185 -0.564 1.00 7.25 H new ATOM 0 HA THR A 77 -4.793 20.148 0.207 1.00 7.86 H new ATOM 0 HB THR A 77 -4.631 17.803 0.984 1.00 7.90 H new ATOM 0 HG1 THR A 77 -5.051 18.395 3.258 1.00 8.72 H new ATOM 0 HG21 THR A 77 -3.146 17.200 2.874 1.00 7.87 H new ATOM 0 HG22 THR A 77 -2.273 17.467 1.346 1.00 7.87 H new ATOM 0 HG23 THR A 77 -2.248 18.714 2.616 1.00 7.87 H new ATOM 1225 N THR A 78 -2.788 21.860 0.181 1.00 9.01 N ATOM 1226 CA THR A 78 -1.941 23.001 0.521 1.00 9.88 C ATOM 1227 C THR A 78 -2.267 24.190 -0.397 1.00 10.40 C ATOM 1228 O THR A 78 -2.258 25.335 0.092 1.00 10.57 O ATOM 1229 CB THR A 78 -0.446 22.607 0.423 1.00 10.27 C ATOM 1230 OG1 THR A 78 0.404 23.746 0.517 1.00 10.30 O ATOM 1231 CG2 THR A 78 -0.083 21.864 -0.854 1.00 10.39 C ATOM 1232 OXT THR A 78 -2.559 23.963 -1.591 1.00 10.83 O ATOM 0 H THR A 78 -3.268 21.953 -0.714 1.00 9.01 H new ATOM 0 HA THR A 78 -2.140 23.302 1.549 1.00 9.88 H new ATOM 0 HB THR A 78 -0.292 21.935 1.267 1.00 10.27 H new ATOM 0 HG1 THR A 78 1.340 23.462 0.453 1.00 10.30 H new ATOM 0 HG21 THR A 78 0.980 21.624 -0.846 1.00 10.39 H new ATOM 0 HG22 THR A 78 -0.662 20.943 -0.916 1.00 10.39 H new ATOM 0 HG23 THR A 78 -0.306 22.492 -1.716 1.00 10.39 H new TER 1240 THR A 78