USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 767 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 67 LYS NZ :NH3+ 179:sc= 2.67 (180deg=1.31) USER MOD Set 1.2: A 87 CYS SG : rot -27:sc= -4.79! USER MOD Set 2.1: A 29 TYR OH : rot 165:sc= 1.01 USER MOD Set 2.2: A 97 ASN : amide:sc= 0.742 K(o=1.8,f=-2.7!) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= -2.29! USER MOD Set 3.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 3 LYS NZ :NH3+ -125:sc= -0.166 (180deg=-1.58) USER MOD Set 4.2: A 85 ASN : amide:sc= -10.2! C(o=-10!,f=-8.3!) USER MOD Single : A 1 MET CE :methyl 150:sc= -0.162 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -19:sc= 0.646 USER MOD Single : A 7 MET CE :methyl 166:sc= -0.0656 (180deg=-0.399) USER MOD Single : A 9 GLN : amide:sc= 0.016 X(o=0.016,f=-0.32) USER MOD Single : A 13 MET CE :methyl 160:sc= -0.16 (180deg=-0.661) USER MOD Single : A 15 THR OG1 : rot -118:sc= -2.84! USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.149 USER MOD Single : A 24 HIS : no HE2:sc= -0.067 K(o=-0.067,f=-3.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc=-0.00181 K(o=-0.0018,f=-0.79) USER MOD Single : A 34 THR OG1 : rot 71:sc= 0.717 USER MOD Single : A 36 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.0438 K(o=0.044,f=-1.5!) USER MOD Single : A 39 ASN : amide:sc= -2.92 K(o=-2.9,f=-8.4!) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00627 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 49 GLN : amide:sc= -2.15! K(o=-2.2!,f=-0.17) USER MOD Single : A 55 THR OG1 : rot 110:sc= -0.972 USER MOD Single : A 62 GLN : amide:sc= -6.16! C(o=-6.2!,f=-9.8!) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0172 (180deg=-0.215) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= -4.19! (180deg=-5.86!) USER MOD Single : A 70 SER OG : rot 27:sc= 0.628 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= -0.0177 (180deg=-0.164) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.52! C(o=-1.5!,f=-12!) USER MOD Single : A 90 MET CE :methyl -114:sc= 0 (180deg=-1.55!) USER MOD Single : A 95 LYS NZ :NH3+ -150:sc= -0.761 (180deg=-2.08!) USER MOD Single : A 96 SER OG : rot -104:sc= -1.42! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.271 14.011 -9.888 1.00 4.19 N ATOM 2 CA MET A 1 3.318 13.561 -8.946 1.00 3.57 C ATOM 3 C MET A 1 3.763 12.142 -9.282 1.00 2.58 C ATOM 4 O MET A 1 3.130 11.164 -8.880 1.00 2.86 O ATOM 5 CB MET A 1 2.796 13.629 -7.508 1.00 4.32 C ATOM 6 CG MET A 1 3.786 13.129 -6.466 1.00 5.05 C ATOM 7 SD MET A 1 3.180 13.336 -4.779 1.00 6.03 S ATOM 8 CE MET A 1 1.618 12.461 -4.866 1.00 6.63 C ATOM 0 H1 MET A 1 1.979 14.979 -9.646 1.00 4.19 H new ATOM 0 H2 MET A 1 2.646 13.995 -10.858 1.00 4.19 H new ATOM 0 H3 MET A 1 1.450 13.375 -9.824 1.00 4.19 H new ATOM 0 HA MET A 1 4.179 14.223 -9.039 1.00 3.57 H new ATOM 0 HB2 MET A 1 2.531 14.661 -7.277 1.00 4.32 H new ATOM 0 HB3 MET A 1 1.881 13.041 -7.436 1.00 4.32 H new ATOM 0 HG2 MET A 1 3.996 12.075 -6.646 1.00 5.05 H new ATOM 0 HG3 MET A 1 4.728 13.665 -6.578 1.00 5.05 H new ATOM 0 HE1 MET A 1 1.384 12.037 -3.890 1.00 6.63 H new ATOM 0 HE2 MET A 1 0.829 13.153 -5.160 1.00 6.63 H new ATOM 0 HE3 MET A 1 1.690 11.660 -5.601 1.00 6.63 H new ATOM 20 N ALA A 2 4.851 12.041 -10.030 1.00 2.10 N ATOM 21 CA ALA A 2 5.409 10.752 -10.403 1.00 1.89 C ATOM 22 C ALA A 2 6.207 10.175 -9.243 1.00 1.69 C ATOM 23 O ALA A 2 7.178 10.780 -8.781 1.00 2.38 O ATOM 24 CB ALA A 2 6.283 10.890 -11.640 1.00 2.89 C ATOM 0 H ALA A 2 5.367 12.843 -10.392 1.00 2.10 H new ATOM 0 HA ALA A 2 4.593 10.069 -10.638 1.00 1.89 H new ATOM 0 HB1 ALA A 2 6.693 9.916 -11.906 1.00 2.89 H new ATOM 0 HB2 ALA A 2 5.684 11.270 -12.468 1.00 2.89 H new ATOM 0 HB3 ALA A 2 7.099 11.583 -11.434 1.00 2.89 H new ATOM 30 N LYS A 3 5.791 9.014 -8.764 1.00 1.22 N ATOM 31 CA LYS A 3 6.427 8.406 -7.611 1.00 0.97 C ATOM 32 C LYS A 3 7.436 7.358 -8.040 1.00 1.06 C ATOM 33 O LYS A 3 7.076 6.363 -8.664 1.00 1.96 O ATOM 34 CB LYS A 3 5.391 7.763 -6.704 1.00 0.75 C ATOM 35 CG LYS A 3 5.948 7.346 -5.355 1.00 0.46 C ATOM 36 CD LYS A 3 4.907 6.575 -4.571 1.00 0.42 C ATOM 37 CE LYS A 3 5.058 6.777 -3.077 1.00 0.29 C ATOM 38 NZ LYS A 3 4.867 8.193 -2.658 1.00 0.44 N ATOM 0 H LYS A 3 5.018 8.476 -9.156 1.00 1.22 H new ATOM 0 HA LYS A 3 6.944 9.195 -7.065 1.00 0.97 H new ATOM 0 HB2 LYS A 3 4.570 8.463 -6.549 1.00 0.75 H new ATOM 0 HB3 LYS A 3 4.975 6.888 -7.203 1.00 0.75 H new ATOM 0 HG2 LYS A 3 6.837 6.730 -5.496 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.257 8.228 -4.793 1.00 0.46 H new ATOM 0 HD2 LYS A 3 3.911 6.892 -4.881 1.00 0.42 H new ATOM 0 HD3 LYS A 3 4.990 5.513 -4.804 1.00 0.42 H new ATOM 0 HE2 LYS A 3 4.335 6.149 -2.556 1.00 0.29 H new ATOM 0 HE3 LYS A 3 6.049 6.444 -2.769 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 5.700 8.512 -2.123 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 4.747 8.791 -3.500 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 4.021 8.266 -2.058 1.00 0.44 H new ATOM 52 N THR A 4 8.685 7.585 -7.674 1.00 0.55 N ATOM 53 CA THR A 4 9.794 6.693 -8.017 1.00 0.59 C ATOM 54 C THR A 4 11.052 7.141 -7.278 1.00 0.59 C ATOM 55 O THR A 4 11.738 6.345 -6.637 1.00 0.84 O ATOM 56 CB THR A 4 10.133 6.689 -9.536 1.00 0.79 C ATOM 57 OG1 THR A 4 8.972 6.451 -10.344 1.00 1.37 O ATOM 58 CG2 THR A 4 11.176 5.625 -9.849 1.00 1.30 C ATOM 0 H THR A 4 8.967 8.398 -7.126 1.00 0.55 H new ATOM 0 HA THR A 4 9.477 5.690 -7.730 1.00 0.59 H new ATOM 0 HB THR A 4 10.525 7.678 -9.773 1.00 0.79 H new ATOM 0 HG1 THR A 4 8.270 6.044 -9.795 1.00 1.37 H new ATOM 0 HG21 THR A 4 11.400 5.638 -10.916 1.00 1.30 H new ATOM 0 HG22 THR A 4 12.086 5.830 -9.285 1.00 1.30 H new ATOM 0 HG23 THR A 4 10.790 4.644 -9.571 1.00 1.30 H new ATOM 66 N GLU A 5 11.312 8.441 -7.349 1.00 0.65 N ATOM 67 CA GLU A 5 12.568 9.027 -6.890 1.00 0.77 C ATOM 68 C GLU A 5 12.559 9.261 -5.383 1.00 0.71 C ATOM 69 O GLU A 5 12.739 10.388 -4.926 1.00 1.25 O ATOM 70 CB GLU A 5 12.783 10.363 -7.601 1.00 1.05 C ATOM 71 CG GLU A 5 12.455 10.325 -9.084 1.00 1.70 C ATOM 72 CD GLU A 5 12.375 11.705 -9.692 1.00 2.55 C ATOM 73 OE1 GLU A 5 11.433 12.450 -9.358 1.00 3.43 O ATOM 74 OE2 GLU A 5 13.255 12.056 -10.500 1.00 2.70 O ATOM 0 H GLU A 5 10.655 9.123 -7.728 1.00 0.65 H new ATOM 0 HA GLU A 5 13.374 8.331 -7.122 1.00 0.77 H new ATOM 0 HB2 GLU A 5 12.167 11.123 -7.121 1.00 1.05 H new ATOM 0 HB3 GLU A 5 13.822 10.668 -7.475 1.00 1.05 H new ATOM 0 HG2 GLU A 5 13.215 9.744 -9.607 1.00 1.70 H new ATOM 0 HG3 GLU A 5 11.505 9.811 -9.230 1.00 1.70 H new ATOM 81 N GLU A 6 12.352 8.202 -4.615 1.00 0.58 N ATOM 82 CA GLU A 6 12.261 8.328 -3.164 1.00 0.45 C ATOM 83 C GLU A 6 12.855 7.124 -2.451 1.00 0.38 C ATOM 84 O GLU A 6 14.065 7.043 -2.240 1.00 0.44 O ATOM 85 CB GLU A 6 10.805 8.466 -2.728 1.00 0.45 C ATOM 86 CG GLU A 6 10.132 9.767 -3.118 1.00 0.66 C ATOM 87 CD GLU A 6 10.559 10.947 -2.268 1.00 1.75 C ATOM 88 OE1 GLU A 6 11.779 11.134 -2.099 1.00 2.17 O ATOM 89 OE2 GLU A 6 9.688 11.680 -1.757 1.00 2.53 O ATOM 0 H GLU A 6 12.244 7.251 -4.967 1.00 0.58 H new ATOM 0 HA GLU A 6 12.827 9.219 -2.893 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.236 7.640 -3.154 1.00 0.45 H new ATOM 0 HB3 GLU A 6 10.756 8.362 -1.644 1.00 0.45 H new ATOM 0 HG2 GLU A 6 10.354 9.983 -4.163 1.00 0.66 H new ATOM 0 HG3 GLU A 6 9.052 9.646 -3.040 1.00 0.66 H new ATOM 96 N MET A 7 11.968 6.188 -2.102 1.00 0.32 N ATOM 97 CA MET A 7 12.300 5.050 -1.257 1.00 0.29 C ATOM 98 C MET A 7 12.820 5.524 0.094 1.00 0.34 C ATOM 99 O MET A 7 13.700 4.904 0.675 1.00 0.70 O ATOM 100 CB MET A 7 13.297 4.112 -1.944 1.00 0.35 C ATOM 101 CG MET A 7 12.710 2.737 -2.227 1.00 0.30 C ATOM 102 SD MET A 7 13.811 1.683 -3.193 1.00 0.45 S ATOM 103 CE MET A 7 15.228 1.569 -2.099 1.00 1.60 C ATOM 0 H MET A 7 10.994 6.204 -2.403 1.00 0.32 H new ATOM 0 HA MET A 7 11.388 4.477 -1.088 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.627 4.562 -2.881 1.00 0.35 H new ATOM 0 HB3 MET A 7 14.180 4.003 -1.315 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.482 2.244 -1.282 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.767 2.854 -2.761 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.882 0.764 -2.433 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.776 2.511 -2.114 1.00 1.60 H new ATOM 0 HE3 MET A 7 14.888 1.363 -1.084 1.00 1.60 H new ATOM 113 N VAL A 8 12.270 6.654 0.558 1.00 0.31 N ATOM 114 CA VAL A 8 12.536 7.185 1.899 1.00 0.30 C ATOM 115 C VAL A 8 11.458 8.196 2.316 1.00 0.31 C ATOM 116 O VAL A 8 11.647 9.403 2.192 1.00 0.46 O ATOM 117 CB VAL A 8 13.923 7.878 2.020 1.00 0.39 C ATOM 118 CG1 VAL A 8 15.022 6.885 2.368 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.271 8.629 0.742 1.00 1.12 C ATOM 0 H VAL A 8 11.626 7.226 0.011 1.00 0.31 H new ATOM 0 HA VAL A 8 12.526 6.318 2.559 1.00 0.30 H new ATOM 0 HB VAL A 8 13.853 8.596 2.837 1.00 0.39 H new ATOM 0 HG11 VAL A 8 15.975 7.409 2.443 1.00 1.50 H new ATOM 0 HG12 VAL A 8 14.793 6.409 3.321 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.086 6.125 1.589 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.246 9.104 0.853 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.301 7.930 -0.094 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.515 9.391 0.550 1.00 1.12 H new ATOM 129 N GLN A 9 10.311 7.707 2.786 1.00 0.23 N ATOM 130 CA GLN A 9 9.304 8.592 3.362 1.00 0.24 C ATOM 131 C GLN A 9 8.914 8.162 4.781 1.00 0.26 C ATOM 132 O GLN A 9 9.153 8.898 5.734 1.00 0.38 O ATOM 133 CB GLN A 9 8.082 8.676 2.454 1.00 0.26 C ATOM 134 CG GLN A 9 8.289 9.570 1.243 1.00 0.31 C ATOM 135 CD GLN A 9 8.429 11.032 1.620 1.00 1.15 C ATOM 136 OE1 GLN A 9 7.445 11.768 1.674 1.00 1.97 O ATOM 137 NE2 GLN A 9 9.649 11.462 1.899 1.00 1.86 N ATOM 0 H GLN A 9 10.060 6.718 2.779 1.00 0.23 H new ATOM 0 HA GLN A 9 9.742 9.587 3.439 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.821 7.673 2.115 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.235 9.048 3.031 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.182 9.249 0.706 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.447 9.453 0.560 1.00 0.31 H new ATOM 0 HE21 GLN A 9 10.441 10.821 1.843 1.00 1.86 H new ATOM 0 HE22 GLN A 9 9.798 12.434 2.170 1.00 1.86 H new ATOM 146 N THR A 10 8.335 6.974 4.931 1.00 0.21 N ATOM 147 CA THR A 10 7.957 6.480 6.255 1.00 0.21 C ATOM 148 C THR A 10 8.738 5.216 6.600 1.00 0.21 C ATOM 149 O THR A 10 8.531 4.168 5.993 1.00 0.21 O ATOM 150 CB THR A 10 6.448 6.177 6.332 1.00 0.23 C ATOM 151 OG1 THR A 10 5.707 7.241 5.721 1.00 0.26 O ATOM 152 CG2 THR A 10 5.998 6.014 7.778 1.00 0.28 C ATOM 0 H THR A 10 8.118 6.340 4.162 1.00 0.21 H new ATOM 0 HA THR A 10 8.195 7.265 6.973 1.00 0.21 H new ATOM 0 HB THR A 10 6.261 5.244 5.801 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.749 7.043 5.771 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.929 5.801 7.805 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.544 5.190 8.238 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.198 6.934 8.327 1.00 0.28 H new ATOM 160 N GLU A 11 9.655 5.328 7.547 1.00 0.25 N ATOM 161 CA GLU A 11 10.515 4.215 7.912 1.00 0.28 C ATOM 162 C GLU A 11 9.910 3.343 9.011 1.00 0.25 C ATOM 163 O GLU A 11 9.207 3.827 9.897 1.00 0.40 O ATOM 164 CB GLU A 11 11.869 4.750 8.360 1.00 0.45 C ATOM 165 CG GLU A 11 12.952 3.690 8.444 1.00 0.47 C ATOM 166 CD GLU A 11 14.315 4.291 8.681 1.00 0.70 C ATOM 167 OE1 GLU A 11 14.924 4.779 7.707 1.00 1.50 O ATOM 168 OE2 GLU A 11 14.775 4.300 9.839 1.00 1.15 O ATOM 0 H GLU A 11 9.823 6.182 8.079 1.00 0.25 H new ATOM 0 HA GLU A 11 10.629 3.583 7.031 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.189 5.528 7.667 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.758 5.220 9.337 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.717 2.995 9.250 1.00 0.47 H new ATOM 0 HG3 GLU A 11 12.966 3.113 7.520 1.00 0.47 H new ATOM 175 N GLU A 12 10.215 2.057 8.932 1.00 0.31 N ATOM 176 CA GLU A 12 9.815 1.072 9.925 1.00 0.31 C ATOM 177 C GLU A 12 11.000 0.126 10.108 1.00 0.33 C ATOM 178 O GLU A 12 12.029 0.323 9.463 1.00 0.50 O ATOM 179 CB GLU A 12 8.552 0.328 9.457 1.00 0.38 C ATOM 180 CG GLU A 12 7.942 -0.631 10.474 1.00 0.56 C ATOM 181 CD GLU A 12 7.590 0.041 11.787 1.00 0.89 C ATOM 182 OE1 GLU A 12 8.469 0.108 12.669 1.00 1.37 O ATOM 183 OE2 GLU A 12 6.439 0.496 11.942 1.00 1.56 O ATOM 0 H GLU A 12 10.756 1.662 8.163 1.00 0.31 H new ATOM 0 HA GLU A 12 9.562 1.539 10.877 1.00 0.31 H new ATOM 0 HB2 GLU A 12 7.798 1.065 9.181 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.795 -0.233 8.555 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.043 -1.079 10.049 1.00 0.56 H new ATOM 0 HG3 GLU A 12 8.643 -1.443 10.665 1.00 0.56 H new ATOM 190 N MET A 13 10.874 -0.886 10.957 1.00 0.38 N ATOM 191 CA MET A 13 12.016 -1.734 11.286 1.00 0.46 C ATOM 192 C MET A 13 12.636 -2.401 10.053 1.00 0.40 C ATOM 193 O MET A 13 13.859 -2.441 9.934 1.00 0.49 O ATOM 194 CB MET A 13 11.613 -2.799 12.298 1.00 0.61 C ATOM 195 CG MET A 13 11.118 -2.228 13.615 1.00 0.92 C ATOM 196 SD MET A 13 10.595 -3.505 14.776 1.00 1.76 S ATOM 197 CE MET A 13 12.126 -4.410 14.999 1.00 2.64 C ATOM 0 H MET A 13 10.004 -1.139 11.426 1.00 0.38 H new ATOM 0 HA MET A 13 12.774 -1.081 11.717 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.831 -3.423 11.865 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.468 -3.447 12.491 1.00 0.61 H new ATOM 0 HG2 MET A 13 11.911 -1.633 14.069 1.00 0.92 H new ATOM 0 HG3 MET A 13 10.283 -1.554 13.423 1.00 0.92 H new ATOM 0 HE1 MET A 13 12.077 -4.986 15.923 1.00 2.64 H new ATOM 0 HE2 MET A 13 12.275 -5.086 14.157 1.00 2.64 H new ATOM 0 HE3 MET A 13 12.959 -3.709 15.053 1.00 2.64 H new ATOM 207 N GLU A 14 11.823 -2.912 9.126 1.00 0.30 N ATOM 208 CA GLU A 14 12.390 -3.472 7.899 1.00 0.28 C ATOM 209 C GLU A 14 12.092 -2.608 6.678 1.00 0.31 C ATOM 210 O GLU A 14 12.790 -2.698 5.673 1.00 0.61 O ATOM 211 CB GLU A 14 11.893 -4.896 7.653 1.00 0.33 C ATOM 212 CG GLU A 14 12.604 -5.591 6.496 1.00 0.45 C ATOM 213 CD GLU A 14 14.098 -5.753 6.738 1.00 0.86 C ATOM 214 OE1 GLU A 14 14.828 -4.746 6.662 1.00 1.19 O ATOM 215 OE2 GLU A 14 14.549 -6.888 7.005 1.00 1.33 O ATOM 0 H GLU A 14 10.806 -2.950 9.196 1.00 0.30 H new ATOM 0 HA GLU A 14 13.470 -3.493 8.045 1.00 0.28 H new ATOM 0 HB2 GLU A 14 12.031 -5.484 8.561 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.822 -4.870 7.450 1.00 0.33 H new ATOM 0 HG2 GLU A 14 12.157 -6.572 6.337 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.448 -5.018 5.582 1.00 0.45 H new ATOM 222 N THR A 15 11.084 -1.754 6.761 1.00 0.20 N ATOM 223 CA THR A 15 10.754 -0.886 5.641 1.00 0.18 C ATOM 224 C THR A 15 11.885 0.092 5.434 1.00 0.21 C ATOM 225 O THR A 15 12.419 0.633 6.401 1.00 0.30 O ATOM 226 CB THR A 15 9.479 -0.086 5.905 1.00 0.23 C ATOM 227 OG1 THR A 15 8.590 -0.852 6.724 1.00 1.04 O ATOM 228 CG2 THR A 15 8.773 0.277 4.612 1.00 0.90 C ATOM 0 H THR A 15 10.487 -1.643 7.581 1.00 0.20 H new ATOM 0 HA THR A 15 10.599 -1.513 4.763 1.00 0.18 H new ATOM 0 HB THR A 15 9.763 0.835 6.414 1.00 0.23 H new ATOM 0 HG1 THR A 15 7.756 -1.016 6.237 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.871 0.845 4.837 1.00 0.90 H new ATOM 0 HG22 THR A 15 9.436 0.880 3.992 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.504 -0.633 4.076 1.00 0.90 H new ATOM 236 N PRO A 16 12.253 0.371 4.191 1.00 0.21 N ATOM 237 CA PRO A 16 13.373 1.224 3.909 1.00 0.24 C ATOM 238 C PRO A 16 12.899 2.650 3.790 1.00 0.21 C ATOM 239 O PRO A 16 13.240 3.370 2.857 1.00 0.22 O ATOM 240 CB PRO A 16 13.867 0.632 2.609 1.00 0.28 C ATOM 241 CG PRO A 16 12.632 0.217 1.886 1.00 0.26 C ATOM 242 CD PRO A 16 11.586 -0.056 2.941 1.00 0.19 C ATOM 0 HA PRO A 16 14.156 1.265 4.666 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.436 1.362 2.033 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.526 -0.218 2.787 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.300 1.000 1.205 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.816 -0.672 1.283 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.672 0.509 2.758 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.309 -1.110 2.971 1.00 0.19 H new ATOM 250 N ARG A 17 12.085 3.023 4.772 1.00 0.21 N ATOM 251 CA ARG A 17 11.402 4.295 4.786 1.00 0.21 C ATOM 252 C ARG A 17 10.510 4.388 3.552 1.00 0.19 C ATOM 253 O ARG A 17 10.714 5.199 2.670 1.00 0.28 O ATOM 254 CB ARG A 17 12.427 5.434 4.850 1.00 0.26 C ATOM 255 CG ARG A 17 11.890 6.727 5.437 1.00 0.39 C ATOM 256 CD ARG A 17 13.007 7.726 5.684 1.00 0.37 C ATOM 257 NE ARG A 17 13.999 7.203 6.623 1.00 1.13 N ATOM 258 CZ ARG A 17 14.860 7.954 7.305 1.00 1.48 C ATOM 259 NH1 ARG A 17 14.899 9.268 7.130 1.00 1.46 N ATOM 260 NH2 ARG A 17 15.692 7.373 8.157 1.00 2.42 N ATOM 0 H ARG A 17 11.884 2.440 5.584 1.00 0.21 H new ATOM 0 HA ARG A 17 10.769 4.383 5.669 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.280 5.106 5.444 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.796 5.632 3.844 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.156 7.160 4.758 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.373 6.517 6.373 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.493 7.970 4.739 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.587 8.653 6.076 1.00 0.37 H new ATOM 0 HE ARG A 17 14.033 6.193 6.765 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.265 9.713 6.467 1.00 1.46 H new ATOM 0 HH12 ARG A 17 15.563 9.833 7.659 1.00 1.46 H new ATOM 0 HH21 ARG A 17 15.668 6.361 8.284 1.00 2.42 H new ATOM 0 HH22 ARG A 17 16.357 7.938 8.686 1.00 2.42 H new ATOM 274 N LEU A 18 9.526 3.517 3.475 1.00 0.16 N ATOM 275 CA LEU A 18 8.643 3.493 2.324 1.00 0.14 C ATOM 276 C LEU A 18 7.220 3.893 2.678 1.00 0.13 C ATOM 277 O LEU A 18 6.567 3.256 3.504 1.00 0.15 O ATOM 278 CB LEU A 18 8.632 2.118 1.696 1.00 0.19 C ATOM 279 CG LEU A 18 9.494 1.952 0.448 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.876 2.538 0.653 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.575 0.487 0.057 1.00 0.27 C ATOM 0 H LEU A 18 9.317 2.820 4.190 1.00 0.16 H new ATOM 0 HA LEU A 18 9.032 4.224 1.615 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.963 1.396 2.442 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.603 1.864 1.441 1.00 0.19 H new ATOM 0 HG LEU A 18 9.024 2.502 -0.368 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.466 2.404 -0.254 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.791 3.601 0.877 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.367 2.031 1.484 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.193 0.382 -0.835 1.00 0.27 H new ATOM 0 HD22 LEU A 18 10.017 -0.084 0.874 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.573 0.109 -0.149 1.00 0.27 H new ATOM 293 N SER A 19 6.741 4.930 2.011 1.00 0.16 N ATOM 294 CA SER A 19 5.411 5.451 2.242 1.00 0.16 C ATOM 295 C SER A 19 4.597 5.441 0.955 1.00 0.14 C ATOM 296 O SER A 19 5.027 5.953 -0.077 1.00 0.18 O ATOM 297 CB SER A 19 5.523 6.862 2.780 1.00 0.23 C ATOM 298 OG SER A 19 4.256 7.478 2.934 1.00 0.67 O ATOM 0 H SER A 19 7.266 5.432 1.295 1.00 0.16 H new ATOM 0 HA SER A 19 4.899 4.819 2.968 1.00 0.16 H new ATOM 0 HB2 SER A 19 6.035 6.843 3.742 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.136 7.459 2.105 1.00 0.23 H new ATOM 0 HG SER A 19 4.374 8.385 3.285 1.00 0.67 H new ATOM 304 N VAL A 20 3.415 4.880 1.054 1.00 0.14 N ATOM 305 CA VAL A 20 2.520 4.703 -0.071 1.00 0.14 C ATOM 306 C VAL A 20 1.404 5.735 -0.038 1.00 0.13 C ATOM 307 O VAL A 20 1.040 6.259 1.020 1.00 0.14 O ATOM 308 CB VAL A 20 1.892 3.292 -0.061 1.00 0.19 C ATOM 309 CG1 VAL A 20 1.076 3.087 1.186 1.00 0.89 C ATOM 310 CG2 VAL A 20 1.021 3.049 -1.279 1.00 0.85 C ATOM 0 H VAL A 20 3.039 4.526 1.934 1.00 0.14 H new ATOM 0 HA VAL A 20 3.110 4.830 -0.979 1.00 0.14 H new ATOM 0 HB VAL A 20 2.715 2.577 -0.084 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.641 2.088 1.176 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.716 3.195 2.062 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.279 3.829 1.225 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.600 2.045 -1.231 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.213 3.781 -1.301 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.623 3.147 -2.182 1.00 0.85 H new ATOM 320 N ILE A 21 0.882 6.018 -1.211 1.00 0.16 N ATOM 321 CA ILE A 21 -0.218 6.937 -1.367 1.00 0.18 C ATOM 322 C ILE A 21 -1.509 6.135 -1.409 1.00 0.16 C ATOM 323 O ILE A 21 -1.742 5.370 -2.346 1.00 0.20 O ATOM 324 CB ILE A 21 -0.047 7.693 -2.697 1.00 0.28 C ATOM 325 CG1 ILE A 21 1.437 7.975 -2.936 1.00 0.23 C ATOM 326 CG2 ILE A 21 -0.837 8.984 -2.690 1.00 0.50 C ATOM 327 CD1 ILE A 21 1.737 8.555 -4.301 1.00 0.73 C ATOM 0 H ILE A 21 1.212 5.613 -2.087 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.244 7.648 -0.541 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.430 7.072 -3.507 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.794 8.666 -2.172 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.997 7.048 -2.814 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -0.700 9.500 -3.640 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -1.895 8.763 -2.547 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.486 9.621 -1.878 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.809 8.728 -4.395 1.00 0.73 H new ATOM 0 HD12 ILE A 21 1.413 7.857 -5.072 1.00 0.73 H new ATOM 0 HD13 ILE A 21 1.206 9.499 -4.420 1.00 0.73 H new ATOM 339 N VAL A 22 -2.338 6.301 -0.391 1.00 0.14 N ATOM 340 CA VAL A 22 -3.593 5.579 -0.324 1.00 0.13 C ATOM 341 C VAL A 22 -4.754 6.528 -0.495 1.00 0.13 C ATOM 342 O VAL A 22 -4.990 7.394 0.349 1.00 0.20 O ATOM 343 CB VAL A 22 -3.768 4.843 1.012 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.008 3.972 0.974 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.538 4.021 1.339 1.00 0.20 C ATOM 0 H VAL A 22 -2.164 6.927 0.395 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.573 4.845 -1.130 1.00 0.13 H new ATOM 0 HB VAL A 22 -3.893 5.584 1.801 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.120 3.456 1.928 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.884 4.594 0.793 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -4.913 3.238 0.174 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.685 3.509 2.290 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.372 3.285 0.552 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.670 4.677 1.411 1.00 0.20 H new ATOM 355 N THR A 23 -5.497 6.357 -1.560 1.00 0.15 N ATOM 356 CA THR A 23 -6.597 7.249 -1.832 1.00 0.18 C ATOM 357 C THR A 23 -7.888 6.485 -2.117 1.00 0.15 C ATOM 358 O THR A 23 -7.882 5.283 -2.388 1.00 0.16 O ATOM 359 CB THR A 23 -6.259 8.225 -2.986 1.00 0.33 C ATOM 360 OG1 THR A 23 -7.321 9.158 -3.178 1.00 1.21 O ATOM 361 CG2 THR A 23 -5.996 7.489 -4.286 1.00 0.87 C ATOM 0 H THR A 23 -5.363 5.615 -2.247 1.00 0.15 H new ATOM 0 HA THR A 23 -6.761 7.841 -0.932 1.00 0.18 H new ATOM 0 HB THR A 23 -5.350 8.756 -2.702 1.00 0.33 H new ATOM 0 HG1 THR A 23 -7.256 9.548 -4.075 1.00 1.21 H new ATOM 0 HG21 THR A 23 -5.763 8.209 -5.071 1.00 0.87 H new ATOM 0 HG22 THR A 23 -5.154 6.809 -4.155 1.00 0.87 H new ATOM 0 HG23 THR A 23 -6.882 6.920 -4.568 1.00 0.87 H new ATOM 369 N HIS A 24 -8.989 7.188 -1.952 1.00 0.20 N ATOM 370 CA HIS A 24 -10.304 6.717 -2.335 1.00 0.24 C ATOM 371 C HIS A 24 -11.005 7.892 -2.999 1.00 0.34 C ATOM 372 O HIS A 24 -11.422 8.820 -2.310 1.00 0.38 O ATOM 373 CB HIS A 24 -11.062 6.252 -1.081 1.00 0.31 C ATOM 374 CG HIS A 24 -12.545 6.102 -1.253 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.453 6.629 -0.361 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.276 5.477 -2.205 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.677 6.334 -0.757 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.597 5.636 -1.875 1.00 0.96 N ATOM 0 H HIS A 24 -8.995 8.121 -1.540 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.255 5.871 -3.020 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.650 5.295 -0.761 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.875 6.964 -0.277 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -13.216 7.164 0.475 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -12.890 4.950 -3.065 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.589 6.616 -0.252 1.00 1.08 H new ATOM 387 N SER A 25 -11.148 7.828 -4.321 1.00 0.41 N ATOM 388 CA SER A 25 -11.588 8.974 -5.132 1.00 0.55 C ATOM 389 C SER A 25 -10.557 10.119 -5.060 1.00 0.60 C ATOM 390 O SER A 25 -10.050 10.583 -6.086 1.00 0.99 O ATOM 391 CB SER A 25 -12.972 9.467 -4.688 1.00 0.63 C ATOM 392 OG SER A 25 -13.491 10.426 -5.597 1.00 1.17 O ATOM 0 H SER A 25 -10.964 6.985 -4.864 1.00 0.41 H new ATOM 0 HA SER A 25 -11.665 8.642 -6.167 1.00 0.55 H new ATOM 0 HB2 SER A 25 -13.657 8.622 -4.617 1.00 0.63 H new ATOM 0 HB3 SER A 25 -12.903 9.906 -3.693 1.00 0.63 H new ATOM 0 HG SER A 25 -14.374 10.722 -5.291 1.00 1.17 H new ATOM 398 N ASN A 26 -10.254 10.551 -3.839 1.00 0.44 N ATOM 399 CA ASN A 26 -9.254 11.581 -3.573 1.00 0.50 C ATOM 400 C ASN A 26 -8.853 11.526 -2.096 1.00 0.43 C ATOM 401 O ASN A 26 -7.754 11.934 -1.720 1.00 0.47 O ATOM 402 CB ASN A 26 -9.788 12.975 -3.910 1.00 0.65 C ATOM 403 CG ASN A 26 -8.701 14.034 -3.863 1.00 1.42 C ATOM 404 OD1 ASN A 26 -7.545 13.776 -4.212 1.00 2.19 O ATOM 405 ND2 ASN A 26 -9.057 15.226 -3.412 1.00 2.02 N ATOM 0 H ASN A 26 -10.702 10.191 -2.996 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.386 11.390 -4.205 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.235 12.960 -4.904 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.579 13.238 -3.208 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -8.365 15.972 -3.343 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -10.023 15.398 -3.134 1.00 2.02 H new ATOM 412 N GLU A 27 -9.778 11.017 -1.278 1.00 0.41 N ATOM 413 CA GLU A 27 -9.562 10.773 0.153 1.00 0.42 C ATOM 414 C GLU A 27 -8.216 10.088 0.411 1.00 0.37 C ATOM 415 O GLU A 27 -8.044 8.893 0.147 1.00 0.49 O ATOM 416 CB GLU A 27 -10.711 9.904 0.655 1.00 0.50 C ATOM 417 CG GLU A 27 -10.653 9.530 2.123 1.00 0.58 C ATOM 418 CD GLU A 27 -11.866 8.722 2.527 1.00 1.21 C ATOM 419 OE1 GLU A 27 -12.207 7.757 1.808 1.00 1.58 O ATOM 420 OE2 GLU A 27 -12.510 9.069 3.534 1.00 1.75 O ATOM 0 H GLU A 27 -10.712 10.759 -1.595 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.538 11.723 0.687 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.648 10.428 0.468 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.735 8.988 0.065 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -9.748 8.956 2.320 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.595 10.434 2.730 1.00 0.58 H new ATOM 427 N ARG A 28 -7.287 10.841 0.978 1.00 0.33 N ATOM 428 CA ARG A 28 -5.887 10.440 1.030 1.00 0.33 C ATOM 429 C ARG A 28 -5.405 10.168 2.449 1.00 0.30 C ATOM 430 O ARG A 28 -5.587 10.984 3.351 1.00 0.36 O ATOM 431 CB ARG A 28 -5.015 11.537 0.418 1.00 0.48 C ATOM 432 CG ARG A 28 -3.524 11.225 0.444 1.00 0.72 C ATOM 433 CD ARG A 28 -3.163 10.144 -0.564 1.00 0.76 C ATOM 434 NE ARG A 28 -3.573 10.517 -1.925 1.00 1.75 N ATOM 435 CZ ARG A 28 -3.032 11.516 -2.639 1.00 2.38 C ATOM 436 NH1 ARG A 28 -2.051 12.261 -2.135 1.00 2.45 N ATOM 437 NH2 ARG A 28 -3.475 11.767 -3.863 1.00 3.31 N ATOM 0 H ARG A 28 -7.479 11.743 1.414 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.803 9.512 0.465 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.324 11.700 -0.614 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -5.191 12.469 0.955 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -2.958 12.131 0.226 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.236 10.902 1.444 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.087 9.969 -0.542 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -3.644 9.207 -0.282 1.00 0.76 H new ATOM 0 HE ARG A 28 -4.323 9.978 -2.358 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -1.701 12.076 -1.195 1.00 2.45 H new ATOM 0 HH12 ARG A 28 -1.649 13.017 -2.689 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -4.225 11.201 -4.260 1.00 3.31 H new ATOM 0 HH22 ARG A 28 -3.066 12.526 -4.408 1.00 3.31 H new ATOM 451 N TYR A 29 -4.825 8.994 2.634 1.00 0.28 N ATOM 452 CA TYR A 29 -4.070 8.673 3.836 1.00 0.27 C ATOM 453 C TYR A 29 -2.692 8.149 3.445 1.00 0.25 C ATOM 454 O TYR A 29 -2.577 7.347 2.515 1.00 0.27 O ATOM 455 CB TYR A 29 -4.812 7.646 4.697 1.00 0.34 C ATOM 456 CG TYR A 29 -6.074 8.187 5.331 1.00 0.93 C ATOM 457 CD1 TYR A 29 -6.023 8.898 6.521 1.00 1.30 C ATOM 458 CD2 TYR A 29 -7.315 7.984 4.741 1.00 1.65 C ATOM 459 CE1 TYR A 29 -7.171 9.396 7.105 1.00 1.95 C ATOM 460 CE2 TYR A 29 -8.468 8.481 5.317 1.00 2.31 C ATOM 461 CZ TYR A 29 -8.390 9.184 6.500 1.00 2.36 C ATOM 462 OH TYR A 29 -9.536 9.679 7.079 1.00 3.09 O ATOM 0 H TYR A 29 -4.864 8.234 1.954 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.956 9.580 4.430 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -5.066 6.783 4.081 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -4.144 7.292 5.482 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -5.069 9.065 6.999 1.00 1.30 H new ATOM 0 HD2 TYR A 29 -7.379 7.429 3.817 1.00 1.65 H new ATOM 0 HE1 TYR A 29 -7.113 9.949 8.031 1.00 1.95 H new ATOM 0 HE2 TYR A 29 -9.425 8.320 4.843 1.00 2.31 H new ATOM 0 HH TYR A 29 -10.267 9.659 6.427 1.00 3.09 H new ATOM 472 N ASP A 30 -1.653 8.621 4.116 1.00 0.27 N ATOM 473 CA ASP A 30 -0.303 8.106 3.889 1.00 0.30 C ATOM 474 C ASP A 30 -0.136 6.793 4.646 1.00 0.25 C ATOM 475 O ASP A 30 -0.561 6.665 5.798 1.00 0.34 O ATOM 476 CB ASP A 30 0.756 9.119 4.341 1.00 0.50 C ATOM 477 CG ASP A 30 0.789 9.317 5.847 1.00 1.27 C ATOM 478 OD1 ASP A 30 -0.137 9.955 6.389 1.00 1.99 O ATOM 479 OD2 ASP A 30 1.740 8.830 6.499 1.00 2.01 O ATOM 0 H ASP A 30 -1.713 9.357 4.820 1.00 0.27 H new ATOM 0 HA ASP A 30 -0.164 7.935 2.821 1.00 0.30 H new ATOM 0 HB2 ASP A 30 1.737 8.785 4.003 1.00 0.50 H new ATOM 0 HB3 ASP A 30 0.562 10.077 3.859 1.00 0.50 H new ATOM 484 N LEU A 31 0.462 5.816 3.992 1.00 0.18 N ATOM 485 CA LEU A 31 0.551 4.468 4.535 1.00 0.15 C ATOM 486 C LEU A 31 1.958 3.919 4.306 1.00 0.14 C ATOM 487 O LEU A 31 2.673 4.416 3.447 1.00 0.18 O ATOM 488 CB LEU A 31 -0.516 3.591 3.880 1.00 0.15 C ATOM 489 CG LEU A 31 -1.326 2.712 4.827 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.510 1.510 5.272 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.762 3.518 6.036 1.00 0.16 C ATOM 0 H LEU A 31 0.898 5.929 3.077 1.00 0.18 H new ATOM 0 HA LEU A 31 0.368 4.476 5.610 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.205 4.236 3.335 1.00 0.15 H new ATOM 0 HB3 LEU A 31 -0.031 2.949 3.145 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.209 2.354 4.297 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.106 0.896 5.947 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.226 0.920 4.400 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.388 1.851 5.788 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.340 2.883 6.707 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -0.883 3.894 6.559 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.377 4.357 5.711 1.00 0.16 H new ATOM 503 N LEU A 32 2.390 2.954 5.102 1.00 0.15 N ATOM 504 CA LEU A 32 3.762 2.480 5.011 1.00 0.16 C ATOM 505 C LEU A 32 3.823 1.033 4.517 1.00 0.14 C ATOM 506 O LEU A 32 3.036 0.188 4.943 1.00 0.14 O ATOM 507 CB LEU A 32 4.454 2.669 6.373 1.00 0.19 C ATOM 508 CG LEU A 32 5.548 1.662 6.742 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.589 2.333 7.613 1.00 0.52 C ATOM 510 CD2 LEU A 32 4.957 0.468 7.481 1.00 0.73 C ATOM 0 H LEU A 32 1.820 2.489 5.809 1.00 0.15 H new ATOM 0 HA LEU A 32 4.301 3.070 4.270 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.891 3.667 6.396 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.689 2.638 7.149 1.00 0.19 H new ATOM 0 HG LEU A 32 6.013 1.307 5.823 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.365 1.613 7.873 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.035 3.167 7.071 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.118 2.703 8.524 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.752 -0.234 7.733 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.472 0.810 8.395 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.224 -0.027 6.844 1.00 0.73 H new ATOM 522 N VAL A 33 4.783 0.769 3.626 1.00 0.14 N ATOM 523 CA VAL A 33 4.953 -0.546 3.002 1.00 0.14 C ATOM 524 C VAL A 33 5.362 -1.578 4.047 1.00 0.14 C ATOM 525 O VAL A 33 6.056 -1.255 5.016 1.00 0.15 O ATOM 526 CB VAL A 33 5.998 -0.504 1.836 1.00 0.17 C ATOM 527 CG1 VAL A 33 7.043 -1.608 1.955 1.00 0.98 C ATOM 528 CG2 VAL A 33 5.282 -0.605 0.500 1.00 1.15 C ATOM 0 H VAL A 33 5.465 1.462 3.317 1.00 0.14 H new ATOM 0 HA VAL A 33 3.994 -0.835 2.573 1.00 0.14 H new ATOM 0 HB VAL A 33 6.526 0.448 1.902 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.744 -1.536 1.124 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.583 -1.498 2.896 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.550 -2.580 1.931 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.013 -0.575 -0.308 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.728 -1.543 0.454 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.590 0.231 0.394 1.00 1.15 H new ATOM 538 N THR A 34 4.948 -2.821 3.837 1.00 0.14 N ATOM 539 CA THR A 34 4.981 -3.814 4.888 1.00 0.17 C ATOM 540 C THR A 34 6.363 -4.428 5.040 1.00 0.17 C ATOM 541 O THR A 34 6.918 -5.025 4.114 1.00 0.18 O ATOM 542 CB THR A 34 3.946 -4.917 4.609 1.00 0.19 C ATOM 543 OG1 THR A 34 2.680 -4.318 4.296 1.00 0.21 O ATOM 544 CG2 THR A 34 3.788 -5.839 5.811 1.00 0.23 C ATOM 0 H THR A 34 4.586 -3.160 2.946 1.00 0.14 H new ATOM 0 HA THR A 34 4.734 -3.311 5.823 1.00 0.17 H new ATOM 0 HB THR A 34 4.297 -5.511 3.765 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.730 -3.889 3.416 1.00 0.21 H new ATOM 0 HG21 THR A 34 3.050 -6.609 5.585 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.745 -6.309 6.037 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.456 -5.260 6.673 1.00 0.23 H new ATOM 552 N PRO A 35 6.935 -4.238 6.242 1.00 0.18 N ATOM 553 CA PRO A 35 8.256 -4.740 6.604 1.00 0.20 C ATOM 554 C PRO A 35 8.300 -6.258 6.652 1.00 0.23 C ATOM 555 O PRO A 35 7.260 -6.914 6.748 1.00 0.35 O ATOM 556 CB PRO A 35 8.501 -4.152 7.998 1.00 0.27 C ATOM 557 CG PRO A 35 7.144 -3.888 8.542 1.00 0.32 C ATOM 558 CD PRO A 35 6.305 -3.504 7.360 1.00 0.22 C ATOM 0 HA PRO A 35 9.012 -4.454 5.873 1.00 0.20 H new ATOM 0 HB2 PRO A 35 9.052 -4.849 8.630 1.00 0.27 H new ATOM 0 HB3 PRO A 35 9.090 -3.237 7.943 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.742 -4.771 9.038 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.167 -3.089 9.283 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.263 -3.794 7.495 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.317 -2.427 7.191 1.00 0.22 H new ATOM 566 N GLN A 36 9.516 -6.795 6.559 1.00 0.26 N ATOM 567 CA GLN A 36 9.755 -8.236 6.578 1.00 0.29 C ATOM 568 C GLN A 36 9.393 -8.834 5.227 1.00 0.30 C ATOM 569 O GLN A 36 8.322 -9.415 5.039 1.00 0.73 O ATOM 570 CB GLN A 36 8.996 -8.910 7.730 1.00 0.42 C ATOM 571 CG GLN A 36 9.414 -8.386 9.097 1.00 0.59 C ATOM 572 CD GLN A 36 8.424 -8.708 10.200 1.00 0.98 C ATOM 573 OE1 GLN A 36 8.272 -7.933 11.147 1.00 1.69 O ATOM 574 NE2 GLN A 36 7.766 -9.852 10.110 1.00 1.72 N ATOM 0 H GLN A 36 10.366 -6.239 6.468 1.00 0.26 H new ATOM 0 HA GLN A 36 10.815 -8.419 6.756 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.926 -8.751 7.596 1.00 0.42 H new ATOM 0 HB3 GLN A 36 9.166 -9.986 7.691 1.00 0.42 H new ATOM 0 HG2 GLN A 36 10.385 -8.808 9.357 1.00 0.59 H new ATOM 0 HG3 GLN A 36 9.541 -7.305 9.039 1.00 0.59 H new ATOM 0 HE21 GLN A 36 7.919 -10.467 9.311 1.00 1.72 H new ATOM 0 HE22 GLN A 36 7.106 -10.119 10.840 1.00 1.72 H new ATOM 583 N GLN A 37 10.325 -8.679 4.296 1.00 0.33 N ATOM 584 CA GLN A 37 10.148 -9.083 2.906 1.00 0.26 C ATOM 585 C GLN A 37 11.438 -8.875 2.132 1.00 0.30 C ATOM 586 O GLN A 37 11.829 -9.697 1.305 1.00 0.74 O ATOM 587 CB GLN A 37 9.048 -8.282 2.190 1.00 0.23 C ATOM 588 CG GLN A 37 7.987 -9.179 1.563 1.00 0.26 C ATOM 589 CD GLN A 37 8.562 -10.486 1.040 1.00 0.44 C ATOM 590 OE1 GLN A 37 8.611 -11.492 1.751 1.00 1.02 O ATOM 591 NE2 GLN A 37 9.009 -10.479 -0.207 1.00 1.42 N ATOM 0 H GLN A 37 11.237 -8.264 4.487 1.00 0.33 H new ATOM 0 HA GLN A 37 9.861 -10.134 2.931 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.574 -7.606 2.902 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.500 -7.663 1.415 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.216 -9.395 2.303 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.503 -8.646 0.745 1.00 0.26 H new ATOM 0 HE21 GLN A 37 8.951 -9.627 -0.765 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.411 -11.326 -0.610 1.00 1.42 H new ATOM 600 N GLY A 38 12.099 -7.765 2.422 1.00 0.43 N ATOM 601 CA GLY A 38 13.202 -7.315 1.610 1.00 0.34 C ATOM 602 C GLY A 38 13.105 -5.829 1.402 1.00 0.38 C ATOM 603 O GLY A 38 13.938 -5.244 0.728 1.00 0.83 O ATOM 0 H GLY A 38 11.885 -7.163 3.217 1.00 0.43 H new ATOM 0 HA2 GLY A 38 14.147 -7.563 2.093 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.191 -7.828 0.648 1.00 0.34 H new ATOM 607 N ASN A 39 12.007 -5.261 1.936 1.00 0.27 N ATOM 608 CA ASN A 39 11.746 -3.811 2.016 1.00 0.22 C ATOM 609 C ASN A 39 11.450 -3.195 0.657 1.00 0.21 C ATOM 610 O ASN A 39 10.697 -2.237 0.560 1.00 0.27 O ATOM 611 CB ASN A 39 12.851 -3.047 2.784 1.00 0.29 C ATOM 612 CG ASN A 39 14.177 -2.822 2.050 1.00 0.40 C ATOM 613 OD1 ASN A 39 14.226 -2.598 0.842 1.00 1.06 O ATOM 614 ND2 ASN A 39 15.270 -2.873 2.796 1.00 1.11 N ATOM 0 H ASN A 39 11.252 -5.817 2.337 1.00 0.27 H new ATOM 0 HA ASN A 39 10.836 -3.701 2.606 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.453 -2.074 3.072 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.061 -3.590 3.705 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.185 -2.724 2.371 1.00 1.11 H new ATOM 0 HD22 ASN A 39 15.197 -3.061 3.796 1.00 1.11 H new ATOM 621 N SER A 40 12.017 -3.763 -0.379 1.00 0.24 N ATOM 622 CA SER A 40 11.754 -3.324 -1.728 1.00 0.32 C ATOM 623 C SER A 40 10.702 -4.206 -2.367 1.00 0.32 C ATOM 624 O SER A 40 10.161 -3.878 -3.415 1.00 0.50 O ATOM 625 CB SER A 40 13.042 -3.365 -2.541 1.00 0.40 C ATOM 626 OG SER A 40 12.791 -3.213 -3.929 1.00 1.42 O ATOM 0 H SER A 40 12.673 -4.541 -0.311 1.00 0.24 H new ATOM 0 HA SER A 40 11.381 -2.300 -1.705 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.711 -2.573 -2.203 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.554 -4.311 -2.365 1.00 0.40 H new ATOM 0 HG SER A 40 13.639 -3.243 -4.420 1.00 1.42 H new ATOM 632 N GLU A 41 10.407 -5.325 -1.737 1.00 0.24 N ATOM 633 CA GLU A 41 9.464 -6.261 -2.309 1.00 0.31 C ATOM 634 C GLU A 41 8.455 -6.685 -1.264 1.00 0.26 C ATOM 635 O GLU A 41 8.528 -7.783 -0.747 1.00 0.30 O ATOM 636 CB GLU A 41 10.193 -7.473 -2.904 1.00 0.45 C ATOM 637 CG GLU A 41 11.181 -8.144 -1.959 1.00 1.12 C ATOM 638 CD GLU A 41 11.827 -9.365 -2.579 1.00 1.32 C ATOM 639 OE1 GLU A 41 11.258 -10.469 -2.465 1.00 1.83 O ATOM 640 OE2 GLU A 41 12.906 -9.223 -3.191 1.00 1.66 O ATOM 0 H GLU A 41 10.802 -5.605 -0.839 1.00 0.24 H new ATOM 0 HA GLU A 41 8.929 -5.769 -3.121 1.00 0.31 H new ATOM 0 HB2 GLU A 41 9.452 -8.209 -3.217 1.00 0.45 H new ATOM 0 HB3 GLU A 41 10.726 -7.156 -3.801 1.00 0.45 H new ATOM 0 HG2 GLU A 41 11.954 -7.429 -1.678 1.00 1.12 H new ATOM 0 HG3 GLU A 41 10.666 -8.433 -1.043 1.00 1.12 H new ATOM 647 N PRO A 42 7.491 -5.807 -0.963 1.00 0.22 N ATOM 648 CA PRO A 42 6.499 -6.016 0.101 1.00 0.21 C ATOM 649 C PRO A 42 5.664 -7.277 -0.112 1.00 0.20 C ATOM 650 O PRO A 42 5.660 -7.858 -1.189 1.00 0.20 O ATOM 651 CB PRO A 42 5.611 -4.775 0.020 1.00 0.23 C ATOM 652 CG PRO A 42 6.424 -3.760 -0.697 1.00 0.26 C ATOM 653 CD PRO A 42 7.285 -4.523 -1.652 1.00 0.24 C ATOM 0 HA PRO A 42 6.978 -6.152 1.071 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.685 -4.987 -0.515 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.332 -4.425 1.014 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.786 -3.052 -1.226 1.00 0.26 H new ATOM 0 HG3 PRO A 42 7.031 -3.183 0.000 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.796 -4.657 -2.617 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.229 -4.011 -1.841 1.00 0.24 H new ATOM 661 N VAL A 43 4.971 -7.713 0.928 1.00 0.21 N ATOM 662 CA VAL A 43 4.236 -8.968 0.870 1.00 0.22 C ATOM 663 C VAL A 43 2.955 -8.824 0.059 1.00 0.19 C ATOM 664 O VAL A 43 2.454 -7.723 -0.108 1.00 0.17 O ATOM 665 CB VAL A 43 3.872 -9.497 2.274 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.117 -9.869 3.061 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.045 -8.478 3.042 1.00 0.24 C ATOM 0 H VAL A 43 4.902 -7.220 1.818 1.00 0.21 H new ATOM 0 HA VAL A 43 4.901 -9.682 0.385 1.00 0.22 H new ATOM 0 HB VAL A 43 3.272 -10.397 2.141 1.00 0.26 H new ATOM 0 HG11 VAL A 43 4.829 -10.238 4.045 1.00 0.32 H new ATOM 0 HG12 VAL A 43 5.665 -10.646 2.528 1.00 0.32 H new ATOM 0 HG13 VAL A 43 5.752 -8.990 3.175 1.00 0.32 H new ATOM 0 HG21 VAL A 43 2.802 -8.875 4.028 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.615 -7.556 3.153 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.124 -8.272 2.497 1.00 0.24 H new ATOM 677 N VAL A 44 2.420 -9.945 -0.414 1.00 0.22 N ATOM 678 CA VAL A 44 1.165 -9.965 -1.174 1.00 0.22 C ATOM 679 C VAL A 44 0.064 -9.224 -0.420 1.00 0.20 C ATOM 680 O VAL A 44 -0.811 -8.604 -1.008 1.00 0.25 O ATOM 681 CB VAL A 44 0.725 -11.413 -1.455 1.00 0.27 C ATOM 682 CG1 VAL A 44 1.546 -12.007 -2.585 1.00 0.36 C ATOM 683 CG2 VAL A 44 0.869 -12.266 -0.203 1.00 0.36 C ATOM 0 H VAL A 44 2.839 -10.866 -0.284 1.00 0.22 H new ATOM 0 HA VAL A 44 1.339 -9.459 -2.124 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.324 -11.400 -1.752 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.222 -13.031 -2.771 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.406 -11.413 -3.488 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.600 -12.004 -2.309 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.554 -13.287 -0.420 1.00 0.36 H new ATOM 0 HG22 VAL A 44 1.911 -12.269 0.118 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.246 -11.855 0.591 1.00 0.36 H new ATOM 693 N GLN A 45 0.142 -9.288 0.895 1.00 0.19 N ATOM 694 CA GLN A 45 -0.806 -8.624 1.779 1.00 0.19 C ATOM 695 C GLN A 45 -0.712 -7.107 1.655 1.00 0.16 C ATOM 696 O GLN A 45 -1.705 -6.411 1.802 1.00 0.19 O ATOM 697 CB GLN A 45 -0.553 -9.018 3.231 1.00 0.25 C ATOM 698 CG GLN A 45 -0.771 -10.484 3.527 1.00 0.62 C ATOM 699 CD GLN A 45 -0.422 -10.845 4.960 1.00 0.89 C ATOM 700 OE1 GLN A 45 -0.534 -10.020 5.872 1.00 1.66 O ATOM 701 NE2 GLN A 45 0.000 -12.080 5.163 1.00 1.44 N ATOM 0 H GLN A 45 0.870 -9.806 1.387 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.804 -8.943 1.480 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.472 -8.755 3.493 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -1.207 -8.429 3.874 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -1.813 -10.739 3.335 1.00 0.62 H new ATOM 0 HG3 GLN A 45 -0.165 -11.083 2.847 1.00 0.62 H new ATOM 0 HE21 GLN A 45 0.077 -12.728 4.379 1.00 1.44 H new ATOM 0 HE22 GLN A 45 0.249 -12.386 6.104 1.00 1.44 H new ATOM 710 N ASP A 46 0.498 -6.618 1.380 1.00 0.15 N ATOM 711 CA ASP A 46 0.853 -5.199 1.537 1.00 0.14 C ATOM 712 C ASP A 46 -0.070 -4.279 0.757 1.00 0.14 C ATOM 713 O ASP A 46 -0.506 -3.257 1.277 1.00 0.15 O ATOM 714 CB ASP A 46 2.289 -4.969 1.054 1.00 0.17 C ATOM 715 CG ASP A 46 2.629 -3.504 0.864 1.00 0.14 C ATOM 716 OD1 ASP A 46 3.103 -2.880 1.834 1.00 0.16 O ATOM 717 OD2 ASP A 46 2.434 -2.991 -0.266 1.00 0.17 O ATOM 0 H ASP A 46 1.267 -7.195 1.040 1.00 0.15 H new ATOM 0 HA ASP A 46 0.753 -4.963 2.596 1.00 0.14 H new ATOM 0 HB2 ASP A 46 2.982 -5.405 1.774 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.436 -5.495 0.111 1.00 0.17 H new ATOM 722 N LEU A 47 -0.382 -4.634 -0.475 1.00 0.18 N ATOM 723 CA LEU A 47 -1.189 -3.774 -1.298 1.00 0.22 C ATOM 724 C LEU A 47 -2.561 -3.551 -0.646 1.00 0.19 C ATOM 725 O LEU A 47 -3.078 -2.433 -0.623 1.00 0.22 O ATOM 726 CB LEU A 47 -1.305 -4.382 -2.689 1.00 0.28 C ATOM 727 CG LEU A 47 -2.542 -5.224 -2.975 1.00 0.62 C ATOM 728 CD1 LEU A 47 -2.641 -5.478 -4.457 1.00 1.07 C ATOM 729 CD2 LEU A 47 -2.497 -6.541 -2.224 1.00 1.01 C ATOM 0 H LEU A 47 -0.089 -5.505 -0.919 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.719 -2.795 -1.394 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.271 -3.571 -3.417 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.426 -5.002 -2.862 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.420 -4.676 -2.635 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.525 -6.080 -4.665 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -2.717 -4.527 -4.985 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -1.752 -6.010 -4.795 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -3.393 -7.119 -2.449 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.616 -7.104 -2.530 1.00 1.01 H new ATOM 0 HD23 LEU A 47 -2.450 -6.347 -1.152 1.00 1.01 H new ATOM 741 N ALA A 48 -3.111 -4.623 -0.088 1.00 0.18 N ATOM 742 CA ALA A 48 -4.362 -4.568 0.645 1.00 0.17 C ATOM 743 C ALA A 48 -4.153 -3.811 1.930 1.00 0.14 C ATOM 744 O ALA A 48 -4.966 -2.984 2.322 1.00 0.16 O ATOM 745 CB ALA A 48 -4.859 -5.973 0.946 1.00 0.19 C ATOM 0 H ALA A 48 -2.698 -5.555 -0.133 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.111 -4.058 0.039 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.798 -5.917 1.496 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -5.018 -6.511 0.011 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.118 -6.500 1.547 1.00 0.19 H new ATOM 751 N GLN A 49 -3.010 -4.078 2.537 1.00 0.13 N ATOM 752 CA GLN A 49 -2.671 -3.561 3.843 1.00 0.13 C ATOM 753 C GLN A 49 -2.643 -2.061 3.835 1.00 0.12 C ATOM 754 O GLN A 49 -3.176 -1.410 4.711 1.00 0.13 O ATOM 755 CB GLN A 49 -1.282 -4.054 4.244 1.00 0.15 C ATOM 756 CG GLN A 49 -0.717 -3.376 5.479 1.00 0.20 C ATOM 757 CD GLN A 49 -1.211 -3.997 6.773 1.00 0.33 C ATOM 758 OE1 GLN A 49 -1.317 -3.323 7.794 1.00 0.94 O ATOM 759 NE2 GLN A 49 -1.536 -5.281 6.737 1.00 1.35 N ATOM 0 H GLN A 49 -2.285 -4.668 2.128 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.426 -3.909 4.548 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.327 -5.129 4.421 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.597 -3.896 3.411 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.371 -3.428 5.450 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -0.987 -2.320 5.463 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -1.434 -5.809 5.870 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -1.888 -5.742 7.576 1.00 1.35 H new ATOM 768 N LEU A 50 -1.990 -1.538 2.838 1.00 0.12 N ATOM 769 CA LEU A 50 -1.816 -0.109 2.707 1.00 0.12 C ATOM 770 C LEU A 50 -3.173 0.607 2.631 1.00 0.12 C ATOM 771 O LEU A 50 -3.475 1.505 3.423 1.00 0.13 O ATOM 772 CB LEU A 50 -0.998 0.147 1.451 1.00 0.12 C ATOM 773 CG LEU A 50 0.418 -0.457 1.444 1.00 0.11 C ATOM 774 CD1 LEU A 50 1.090 -0.227 0.103 1.00 0.12 C ATOM 775 CD2 LEU A 50 1.252 0.129 2.560 1.00 0.13 C ATOM 0 H LEU A 50 -1.561 -2.084 2.091 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.297 0.285 3.581 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.546 -0.248 0.596 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -0.915 1.224 1.307 1.00 0.12 H new ATOM 0 HG LEU A 50 0.332 -1.531 1.606 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.090 -0.661 0.118 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.502 -0.698 -0.684 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.162 0.844 -0.089 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.249 -0.311 2.538 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.328 1.208 2.429 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.781 -0.088 3.519 1.00 0.13 H new ATOM 787 N VAL A 51 -4.013 0.151 1.725 1.00 0.11 N ATOM 788 CA VAL A 51 -5.346 0.710 1.555 1.00 0.10 C ATOM 789 C VAL A 51 -6.217 0.437 2.794 1.00 0.10 C ATOM 790 O VAL A 51 -7.046 1.267 3.183 1.00 0.10 O ATOM 791 CB VAL A 51 -5.959 0.129 0.282 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.237 -0.622 0.553 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.179 1.233 -0.725 1.00 0.18 C ATOM 0 H VAL A 51 -3.796 -0.614 1.086 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.287 1.794 1.453 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.257 -0.597 -0.128 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.633 -1.015 -0.383 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.036 -1.447 1.237 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -7.967 0.052 1.001 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.616 0.816 -1.632 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.855 1.978 -0.306 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.225 1.702 -0.965 1.00 0.18 H new ATOM 803 N GLU A 52 -5.980 -0.714 3.424 1.00 0.11 N ATOM 804 CA GLU A 52 -6.696 -1.126 4.630 1.00 0.12 C ATOM 805 C GLU A 52 -6.273 -0.293 5.837 1.00 0.13 C ATOM 806 O GLU A 52 -7.110 0.254 6.547 1.00 0.16 O ATOM 807 CB GLU A 52 -6.419 -2.615 4.903 1.00 0.17 C ATOM 808 CG GLU A 52 -6.778 -3.084 6.303 1.00 0.50 C ATOM 809 CD GLU A 52 -6.505 -4.562 6.511 1.00 0.53 C ATOM 810 OE1 GLU A 52 -5.325 -4.967 6.456 1.00 0.74 O ATOM 811 OE2 GLU A 52 -7.467 -5.321 6.756 1.00 0.74 O ATOM 0 H GLU A 52 -5.283 -1.389 3.110 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.762 -0.968 4.469 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -6.976 -3.212 4.181 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.361 -2.811 4.730 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.209 -2.507 7.032 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.833 -2.883 6.490 1.00 0.50 H new ATOM 818 N GLU A 53 -4.967 -0.166 6.031 1.00 0.13 N ATOM 819 CA GLU A 53 -4.407 0.468 7.217 1.00 0.15 C ATOM 820 C GLU A 53 -4.631 1.971 7.181 1.00 0.16 C ATOM 821 O GLU A 53 -4.668 2.630 8.222 1.00 0.19 O ATOM 822 CB GLU A 53 -2.909 0.152 7.309 1.00 0.19 C ATOM 823 CG GLU A 53 -2.196 0.783 8.497 1.00 0.24 C ATOM 824 CD GLU A 53 -2.617 0.192 9.825 1.00 0.84 C ATOM 825 OE1 GLU A 53 -3.775 0.423 10.236 1.00 1.32 O ATOM 826 OE2 GLU A 53 -1.808 -0.516 10.456 1.00 1.51 O ATOM 0 H GLU A 53 -4.266 -0.500 5.370 1.00 0.13 H new ATOM 0 HA GLU A 53 -4.912 0.074 8.099 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -2.782 -0.929 7.360 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.424 0.487 6.392 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -1.120 0.658 8.375 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -2.394 1.855 8.504 1.00 0.24 H new ATOM 833 N ALA A 54 -4.793 2.511 5.977 1.00 0.16 N ATOM 834 CA ALA A 54 -5.011 3.940 5.814 1.00 0.18 C ATOM 835 C ALA A 54 -6.245 4.404 6.576 1.00 0.21 C ATOM 836 O ALA A 54 -6.254 5.477 7.174 1.00 0.30 O ATOM 837 CB ALA A 54 -5.148 4.282 4.342 1.00 0.24 C ATOM 0 H ALA A 54 -4.777 1.982 5.105 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.146 4.461 6.226 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.311 5.354 4.231 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.237 3.997 3.816 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -5.995 3.741 3.920 1.00 0.24 H new ATOM 843 N THR A 55 -7.284 3.595 6.545 1.00 0.25 N ATOM 844 CA THR A 55 -8.527 3.935 7.211 1.00 0.33 C ATOM 845 C THR A 55 -8.831 2.984 8.367 1.00 0.29 C ATOM 846 O THR A 55 -9.561 3.331 9.297 1.00 0.39 O ATOM 847 CB THR A 55 -9.687 3.938 6.200 1.00 0.51 C ATOM 848 OG1 THR A 55 -10.950 3.936 6.870 1.00 1.14 O ATOM 849 CG2 THR A 55 -9.587 2.742 5.270 1.00 1.66 C ATOM 0 H THR A 55 -7.293 2.695 6.065 1.00 0.25 H new ATOM 0 HA THR A 55 -8.415 4.935 7.631 1.00 0.33 H new ATOM 0 HB THR A 55 -9.614 4.850 5.608 1.00 0.51 H new ATOM 0 HG1 THR A 55 -11.386 4.805 6.748 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.416 2.761 4.562 1.00 1.66 H new ATOM 0 HG22 THR A 55 -8.644 2.782 4.725 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.630 1.823 5.854 1.00 1.66 H new ATOM 857 N GLY A 56 -8.266 1.787 8.307 1.00 0.25 N ATOM 858 CA GLY A 56 -8.507 0.797 9.334 1.00 0.26 C ATOM 859 C GLY A 56 -9.694 -0.089 9.009 1.00 0.29 C ATOM 860 O GLY A 56 -10.267 -0.717 9.901 1.00 0.34 O ATOM 0 H GLY A 56 -7.641 1.483 7.560 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.617 0.179 9.456 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.680 1.299 10.286 1.00 0.26 H new ATOM 864 N VAL A 57 -10.079 -0.128 7.738 1.00 0.30 N ATOM 865 CA VAL A 57 -11.217 -0.923 7.310 1.00 0.36 C ATOM 866 C VAL A 57 -10.773 -2.229 6.660 1.00 0.29 C ATOM 867 O VAL A 57 -9.710 -2.311 6.052 1.00 0.26 O ATOM 868 CB VAL A 57 -12.126 -0.151 6.333 1.00 0.50 C ATOM 869 CG1 VAL A 57 -12.565 1.162 6.948 1.00 1.62 C ATOM 870 CG2 VAL A 57 -11.448 0.072 4.990 1.00 1.33 C ATOM 0 H VAL A 57 -9.616 0.384 6.987 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.788 -1.148 8.211 1.00 0.36 H new ATOM 0 HB VAL A 57 -13.011 -0.759 6.147 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -13.206 1.696 6.247 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -13.117 0.967 7.868 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -11.688 1.770 7.173 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -12.120 0.619 4.329 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -10.534 0.648 5.135 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -11.203 -0.891 4.542 1.00 1.33 H new ATOM 880 N PRO A 58 -11.606 -3.259 6.802 1.00 0.32 N ATOM 881 CA PRO A 58 -11.339 -4.620 6.303 1.00 0.34 C ATOM 882 C PRO A 58 -11.420 -4.740 4.791 1.00 0.31 C ATOM 883 O PRO A 58 -12.128 -3.984 4.127 1.00 0.27 O ATOM 884 CB PRO A 58 -12.467 -5.422 6.927 1.00 0.39 C ATOM 885 CG PRO A 58 -13.577 -4.442 7.011 1.00 0.39 C ATOM 886 CD PRO A 58 -12.924 -3.174 7.453 1.00 0.37 C ATOM 0 HA PRO A 58 -10.330 -4.946 6.557 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -12.736 -6.282 6.314 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.193 -5.804 7.910 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.071 -4.319 6.047 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.338 -4.765 7.721 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.482 -2.295 7.130 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -12.839 -3.117 8.538 1.00 0.37 H new ATOM 894 N LEU A 59 -10.718 -5.756 4.284 1.00 0.35 N ATOM 895 CA LEU A 59 -10.628 -6.072 2.856 1.00 0.36 C ATOM 896 C LEU A 59 -11.985 -6.053 2.115 1.00 0.36 C ATOM 897 O LEU A 59 -12.015 -5.662 0.954 1.00 0.37 O ATOM 898 CB LEU A 59 -9.932 -7.436 2.695 1.00 0.45 C ATOM 899 CG LEU A 59 -9.917 -8.042 1.287 1.00 1.21 C ATOM 900 CD1 LEU A 59 -8.637 -8.830 1.068 1.00 1.79 C ATOM 901 CD2 LEU A 59 -11.120 -8.950 1.079 1.00 2.08 C ATOM 0 H LEU A 59 -10.183 -6.398 4.869 1.00 0.35 H new ATOM 0 HA LEU A 59 -10.043 -5.281 2.386 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -8.900 -7.333 3.032 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.417 -8.146 3.365 1.00 0.45 H new ATOM 0 HG LEU A 59 -9.965 -7.227 0.565 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -8.639 -9.255 0.064 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -7.778 -8.168 1.180 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -8.574 -9.633 1.802 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -11.090 -9.369 0.073 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -11.097 -9.758 1.810 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -12.037 -8.374 1.204 1.00 2.08 H new ATOM 913 N PRO A 60 -13.120 -6.495 2.718 1.00 0.38 N ATOM 914 CA PRO A 60 -14.432 -6.399 2.059 1.00 0.41 C ATOM 915 C PRO A 60 -14.923 -4.954 1.908 1.00 0.38 C ATOM 916 O PRO A 60 -15.693 -4.646 0.998 1.00 0.46 O ATOM 917 CB PRO A 60 -15.371 -7.183 2.981 1.00 0.47 C ATOM 918 CG PRO A 60 -14.471 -7.987 3.846 1.00 0.52 C ATOM 919 CD PRO A 60 -13.252 -7.142 4.030 1.00 0.42 C ATOM 0 HA PRO A 60 -14.388 -6.789 1.042 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -15.994 -6.513 3.573 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -16.044 -7.822 2.409 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -14.942 -8.213 4.803 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -14.223 -8.940 3.379 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.379 -6.414 4.832 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.376 -7.741 4.278 1.00 0.42 H new ATOM 927 N PHE A 61 -14.475 -4.073 2.800 1.00 0.33 N ATOM 928 CA PHE A 61 -14.946 -2.688 2.816 1.00 0.34 C ATOM 929 C PHE A 61 -14.188 -1.819 1.829 1.00 0.28 C ATOM 930 O PHE A 61 -14.675 -0.767 1.416 1.00 0.31 O ATOM 931 CB PHE A 61 -14.817 -2.095 4.215 1.00 0.37 C ATOM 932 CG PHE A 61 -16.077 -2.194 5.026 1.00 0.44 C ATOM 933 CD1 PHE A 61 -16.410 -3.377 5.664 1.00 0.45 C ATOM 934 CD2 PHE A 61 -16.925 -1.106 5.155 1.00 0.66 C ATOM 935 CE1 PHE A 61 -17.566 -3.474 6.415 1.00 0.56 C ATOM 936 CE2 PHE A 61 -18.082 -1.197 5.903 1.00 0.77 C ATOM 937 CZ PHE A 61 -18.414 -2.372 6.516 1.00 0.68 C ATOM 0 H PHE A 61 -13.787 -4.292 3.521 1.00 0.33 H new ATOM 0 HA PHE A 61 -15.995 -2.705 2.519 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.012 -2.605 4.745 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.529 -1.047 4.132 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -15.759 -4.234 5.574 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -16.678 -0.176 4.665 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -17.811 -4.397 6.920 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -18.727 -0.336 6.004 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.333 -2.447 7.079 1.00 0.68 H new ATOM 947 N GLN A 62 -13.010 -2.255 1.426 1.00 0.22 N ATOM 948 CA GLN A 62 -12.274 -1.522 0.419 1.00 0.19 C ATOM 949 C GLN A 62 -12.144 -2.364 -0.834 1.00 0.19 C ATOM 950 O GLN A 62 -12.259 -3.585 -0.792 1.00 0.33 O ATOM 951 CB GLN A 62 -10.872 -1.105 0.883 1.00 0.19 C ATOM 952 CG GLN A 62 -9.873 -2.245 0.946 1.00 0.25 C ATOM 953 CD GLN A 62 -9.367 -2.550 2.339 1.00 0.40 C ATOM 954 OE1 GLN A 62 -8.235 -2.988 2.501 1.00 0.96 O ATOM 955 NE2 GLN A 62 -10.195 -2.366 3.344 1.00 0.29 N ATOM 0 H GLN A 62 -12.551 -3.097 1.773 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.839 -0.611 0.221 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.491 -0.340 0.207 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -10.949 -0.649 1.870 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.336 -3.142 0.535 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.023 -2.004 0.307 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -11.131 -1.999 3.173 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.901 -2.590 4.295 1.00 0.29 H new ATOM 964 N LYS A 63 -11.929 -1.713 -1.950 1.00 0.19 N ATOM 965 CA LYS A 63 -11.545 -2.412 -3.149 1.00 0.18 C ATOM 966 C LYS A 63 -10.269 -1.791 -3.665 1.00 0.13 C ATOM 967 O LYS A 63 -10.300 -0.833 -4.437 1.00 0.14 O ATOM 968 CB LYS A 63 -12.648 -2.359 -4.206 1.00 0.26 C ATOM 969 CG LYS A 63 -12.361 -3.222 -5.427 1.00 1.14 C ATOM 970 CD LYS A 63 -12.265 -4.697 -5.058 1.00 1.68 C ATOM 971 CE LYS A 63 -13.613 -5.259 -4.631 1.00 2.52 C ATOM 972 NZ LYS A 63 -14.587 -5.272 -5.753 1.00 3.15 N ATOM 0 H LYS A 63 -12.013 -0.702 -2.052 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.383 -3.466 -2.922 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.587 -2.681 -3.756 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.785 -1.326 -4.525 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -13.149 -3.081 -6.167 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -11.428 -2.900 -5.890 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -11.889 -5.262 -5.911 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -11.545 -4.824 -4.249 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -13.481 -6.273 -4.253 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -14.012 -4.662 -3.811 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -15.401 -5.868 -5.500 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -14.913 -4.303 -5.941 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -14.130 -5.654 -6.605 1.00 3.15 H new ATOM 986 N LEU A 64 -9.148 -2.330 -3.214 1.00 0.12 N ATOM 987 CA LEU A 64 -7.862 -1.746 -3.497 1.00 0.10 C ATOM 988 C LEU A 64 -7.410 -2.114 -4.893 1.00 0.12 C ATOM 989 O LEU A 64 -7.279 -3.297 -5.242 1.00 0.14 O ATOM 990 CB LEU A 64 -6.842 -2.188 -2.428 1.00 0.11 C ATOM 991 CG LEU A 64 -5.360 -1.882 -2.699 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.724 -2.928 -3.594 1.00 0.48 C ATOM 993 CD2 LEU A 64 -5.190 -0.514 -3.318 1.00 0.51 C ATOM 0 H LEU A 64 -9.111 -3.177 -2.647 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.940 -0.659 -3.458 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.117 -1.717 -1.484 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -6.944 -3.264 -2.289 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.854 -1.901 -1.734 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.677 -2.676 -3.762 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.790 -3.905 -3.115 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.248 -2.956 -4.550 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.132 -0.325 -3.498 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.732 -0.472 -4.263 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.583 0.244 -2.640 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.218 -1.067 -5.679 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.655 -1.151 -7.005 1.00 0.14 C ATOM 1007 C ILE A 65 -5.481 -0.185 -7.102 1.00 0.15 C ATOM 1008 O ILE A 65 -5.662 1.034 -7.014 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.695 -0.697 -8.027 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -9.003 -1.479 -7.859 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -7.153 -0.836 -9.445 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -10.097 -1.064 -8.821 1.00 1.20 C ATOM 0 H ILE A 65 -7.457 -0.115 -5.400 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.343 -2.177 -7.198 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.910 0.357 -7.849 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.799 -2.541 -7.993 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.363 -1.350 -6.838 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.910 -0.507 -10.158 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.260 -0.221 -9.555 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.902 -1.879 -9.638 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -10.989 -1.663 -8.638 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.331 -0.010 -8.673 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.759 -1.220 -9.845 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.285 -0.721 -7.178 1.00 0.17 N ATOM 1025 CA PHE A 66 -3.104 0.071 -7.457 1.00 0.18 C ATOM 1026 C PHE A 66 -1.926 -0.812 -7.781 1.00 0.20 C ATOM 1027 O PHE A 66 -1.921 -1.981 -7.395 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.780 1.108 -6.414 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.724 2.488 -7.024 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -1.885 2.747 -8.095 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.514 3.517 -6.543 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -1.840 4.001 -8.675 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.471 4.773 -7.115 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.631 5.015 -8.182 1.00 0.36 C ATOM 0 H PHE A 66 -4.101 -1.716 -7.049 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.344 0.658 -8.343 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.533 1.085 -5.626 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.823 0.873 -5.947 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.257 1.958 -8.482 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.174 3.335 -5.708 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -1.185 4.185 -9.514 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -4.094 5.565 -6.727 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.594 5.997 -8.630 1.00 0.36 H new ATOM 1044 N LYS A 67 -0.996 -0.292 -8.570 1.00 0.22 N ATOM 1045 CA LYS A 67 0.220 -1.005 -8.986 1.00 0.25 C ATOM 1046 C LYS A 67 -0.149 -2.182 -9.867 1.00 0.28 C ATOM 1047 O LYS A 67 0.561 -3.189 -9.922 1.00 0.32 O ATOM 1048 CB LYS A 67 1.124 -1.494 -7.799 1.00 0.25 C ATOM 1049 CG LYS A 67 0.542 -1.455 -6.370 1.00 0.18 C ATOM 1050 CD LYS A 67 1.501 -2.081 -5.353 1.00 0.21 C ATOM 1051 CE LYS A 67 0.898 -2.169 -3.945 1.00 0.18 C ATOM 1052 NZ LYS A 67 1.931 -2.031 -2.871 1.00 0.19 N ATOM 0 H LYS A 67 -1.059 0.653 -8.949 1.00 0.22 H new ATOM 0 HA LYS A 67 0.817 -0.279 -9.538 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.421 -2.522 -8.009 1.00 0.25 H new ATOM 0 HB3 LYS A 67 2.033 -0.892 -7.804 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.336 -0.422 -6.089 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.409 -1.987 -6.349 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.777 -3.081 -5.688 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.418 -1.493 -5.315 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.147 -1.388 -3.825 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.385 -3.124 -3.831 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.472 -2.080 -1.939 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.625 -2.801 -2.956 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 2.415 -1.116 -2.970 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.252 -2.015 -10.592 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.784 -3.075 -11.423 1.00 0.38 C ATOM 1068 C GLY A 68 -2.197 -4.270 -10.610 1.00 0.38 C ATOM 1069 O GLY A 68 -2.462 -5.348 -11.140 1.00 0.47 O ATOM 0 H GLY A 68 -1.792 -1.150 -10.616 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.642 -2.702 -11.982 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -1.033 -3.375 -12.154 1.00 0.38 H new ATOM 1073 N LYS A 69 -2.262 -4.065 -9.315 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.559 -5.122 -8.383 1.00 0.33 C ATOM 1075 C LYS A 69 -3.802 -4.778 -7.577 1.00 0.24 C ATOM 1076 O LYS A 69 -4.057 -3.615 -7.263 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.359 -5.330 -7.461 1.00 0.41 C ATOM 1078 CG LYS A 69 -0.079 -5.699 -8.197 1.00 0.62 C ATOM 1079 CD LYS A 69 1.164 -5.499 -7.334 1.00 0.58 C ATOM 1080 CE LYS A 69 1.344 -6.600 -6.300 1.00 0.44 C ATOM 1081 NZ LYS A 69 0.267 -6.609 -5.286 1.00 1.21 N ATOM 0 H LYS A 69 -2.109 -3.156 -8.879 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.755 -6.045 -8.928 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.189 -4.418 -6.889 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.595 -6.116 -6.744 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.133 -6.740 -8.516 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.006 -5.093 -9.099 1.00 0.62 H new ATOM 0 HD2 LYS A 69 2.044 -5.461 -7.975 1.00 0.58 H new ATOM 0 HD3 LYS A 69 1.098 -4.537 -6.826 1.00 0.58 H new ATOM 0 HE2 LYS A 69 1.371 -7.566 -6.804 1.00 0.44 H new ATOM 0 HE3 LYS A 69 2.305 -6.473 -5.803 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 0.558 -7.193 -4.476 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 0.085 -5.637 -4.965 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 -0.600 -7.004 -5.704 1.00 1.21 H new ATOM 1095 N SER A 70 -4.570 -5.789 -7.253 1.00 0.23 N ATOM 1096 CA SER A 70 -5.787 -5.606 -6.490 1.00 0.21 C ATOM 1097 C SER A 70 -5.678 -6.381 -5.178 1.00 0.23 C ATOM 1098 O SER A 70 -5.059 -7.446 -5.132 1.00 0.31 O ATOM 1099 CB SER A 70 -6.994 -6.060 -7.314 1.00 0.24 C ATOM 1100 OG SER A 70 -8.210 -5.647 -6.711 1.00 1.27 O ATOM 0 H SER A 70 -4.374 -6.757 -7.507 1.00 0.23 H new ATOM 0 HA SER A 70 -5.927 -4.551 -6.256 1.00 0.21 H new ATOM 0 HB2 SER A 70 -6.926 -5.648 -8.321 1.00 0.24 H new ATOM 0 HB3 SER A 70 -6.984 -7.146 -7.412 1.00 0.24 H new ATOM 0 HG SER A 70 -8.054 -4.837 -6.182 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.278 -5.844 -4.118 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.032 -6.351 -2.760 1.00 0.21 C ATOM 1108 C LEU A 71 -6.560 -7.770 -2.564 1.00 0.26 C ATOM 1109 O LEU A 71 -7.598 -8.144 -3.119 1.00 0.32 O ATOM 1110 CB LEU A 71 -6.684 -5.438 -1.706 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.146 -5.765 -1.371 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -8.570 -5.036 -0.117 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -9.069 -5.407 -2.528 1.00 1.21 C ATOM 0 H LEU A 71 -6.934 -5.064 -4.167 1.00 0.19 H new ATOM 0 HA LEU A 71 -4.950 -6.361 -2.632 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.097 -5.492 -0.789 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.631 -4.408 -2.058 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.222 -6.839 -1.200 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -9.609 -5.276 0.110 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -7.936 -5.344 0.715 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.471 -3.961 -0.270 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.098 -5.650 -2.261 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -8.991 -4.340 -2.739 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.780 -5.974 -3.413 1.00 1.21 H new ATOM 1125 N LYS A 72 -5.820 -8.553 -1.779 1.00 0.34 N ATOM 1126 CA LYS A 72 -6.278 -9.852 -1.309 1.00 0.46 C ATOM 1127 C LYS A 72 -5.225 -10.456 -0.380 1.00 0.66 C ATOM 1128 O LYS A 72 -4.304 -9.757 0.043 1.00 1.33 O ATOM 1129 CB LYS A 72 -6.572 -10.802 -2.472 1.00 0.47 C ATOM 1130 CG LYS A 72 -7.826 -11.636 -2.251 1.00 0.87 C ATOM 1131 CD LYS A 72 -8.135 -12.527 -3.440 1.00 1.37 C ATOM 1132 CE LYS A 72 -9.440 -13.285 -3.242 1.00 2.01 C ATOM 1133 NZ LYS A 72 -10.620 -12.379 -3.211 1.00 2.72 N ATOM 0 H LYS A 72 -4.887 -8.301 -1.453 1.00 0.34 H new ATOM 0 HA LYS A 72 -7.211 -9.710 -0.763 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -6.683 -10.223 -3.389 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -5.720 -11.467 -2.616 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -7.699 -12.251 -1.360 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -8.672 -10.975 -2.064 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -8.198 -11.921 -4.344 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -7.320 -13.235 -3.587 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -9.562 -14.010 -4.047 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -9.393 -13.848 -2.310 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -11.491 -12.941 -3.296 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -10.632 -11.855 -2.313 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -10.563 -11.707 -4.003 1.00 2.72 H new ATOM 1147 N GLU A 73 -5.354 -11.743 -0.075 1.00 0.69 N ATOM 1148 CA GLU A 73 -4.469 -12.399 0.884 1.00 0.83 C ATOM 1149 C GLU A 73 -3.091 -12.682 0.280 1.00 0.82 C ATOM 1150 O GLU A 73 -2.097 -12.077 0.678 1.00 1.56 O ATOM 1151 CB GLU A 73 -5.105 -13.701 1.380 1.00 1.03 C ATOM 1152 CG GLU A 73 -4.277 -14.436 2.423 1.00 1.62 C ATOM 1153 CD GLU A 73 -3.966 -13.576 3.629 1.00 1.93 C ATOM 1154 OE1 GLU A 73 -4.914 -13.123 4.305 1.00 1.93 O ATOM 1155 OE2 GLU A 73 -2.772 -13.349 3.909 1.00 2.84 O ATOM 0 H GLU A 73 -6.064 -12.354 -0.478 1.00 0.69 H new ATOM 0 HA GLU A 73 -4.329 -11.721 1.726 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -6.085 -13.477 1.801 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -5.267 -14.362 0.528 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -4.814 -15.328 2.746 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -3.344 -14.772 1.970 1.00 1.62 H new ATOM 1162 N MET A 74 -3.035 -13.604 -0.671 1.00 0.58 N ATOM 1163 CA MET A 74 -1.768 -13.991 -1.287 1.00 0.54 C ATOM 1164 C MET A 74 -1.804 -13.722 -2.788 1.00 0.47 C ATOM 1165 O MET A 74 -1.599 -14.620 -3.607 1.00 0.61 O ATOM 1166 CB MET A 74 -1.456 -15.465 -1.001 1.00 0.62 C ATOM 1167 CG MET A 74 -2.578 -16.419 -1.382 1.00 1.44 C ATOM 1168 SD MET A 74 -2.164 -18.143 -1.060 1.00 1.93 S ATOM 1169 CE MET A 74 -3.679 -18.952 -1.565 1.00 2.96 C ATOM 0 H MET A 74 -3.850 -14.099 -1.034 1.00 0.58 H new ATOM 0 HA MET A 74 -0.971 -13.388 -0.851 1.00 0.54 H new ATOM 0 HB2 MET A 74 -0.553 -15.747 -1.543 1.00 0.62 H new ATOM 0 HB3 MET A 74 -1.239 -15.581 0.061 1.00 0.62 H new ATOM 0 HG2 MET A 74 -3.478 -16.156 -0.826 1.00 1.44 H new ATOM 0 HG3 MET A 74 -2.810 -16.297 -2.440 1.00 1.44 H new ATOM 0 HE1 MET A 74 -3.581 -20.029 -1.425 1.00 2.96 H new ATOM 0 HE2 MET A 74 -4.508 -18.582 -0.961 1.00 2.96 H new ATOM 0 HE3 MET A 74 -3.872 -18.739 -2.616 1.00 2.96 H new ATOM 1179 N GLU A 75 -2.082 -12.475 -3.126 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.279 -12.051 -4.491 1.00 0.33 C ATOM 1181 C GLU A 75 -0.974 -11.938 -5.320 1.00 0.30 C ATOM 1182 O GLU A 75 -0.143 -12.848 -5.316 1.00 0.49 O ATOM 1183 CB GLU A 75 -3.083 -10.752 -4.416 1.00 0.38 C ATOM 1184 CG GLU A 75 -2.468 -9.652 -3.564 1.00 0.92 C ATOM 1185 CD GLU A 75 -1.496 -8.784 -4.320 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -1.847 -8.292 -5.404 1.00 2.03 O ATOM 1187 OE2 GLU A 75 -0.369 -8.564 -3.816 1.00 2.49 O ATOM 0 H GLU A 75 -2.178 -11.721 -2.446 1.00 0.35 H new ATOM 0 HA GLU A 75 -2.827 -12.811 -5.048 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -3.220 -10.371 -5.428 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -4.074 -10.980 -4.024 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -3.264 -9.027 -3.160 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -1.956 -10.104 -2.714 1.00 0.92 H new ATOM 1194 N THR A 76 -0.832 -10.837 -6.052 1.00 0.27 N ATOM 1195 CA THR A 76 0.226 -10.661 -7.054 1.00 0.26 C ATOM 1196 C THR A 76 1.638 -10.659 -6.431 1.00 0.17 C ATOM 1197 O THR A 76 1.816 -10.204 -5.305 1.00 0.18 O ATOM 1198 CB THR A 76 0.000 -9.331 -7.806 1.00 0.40 C ATOM 1199 OG1 THR A 76 -1.406 -9.040 -7.858 1.00 0.49 O ATOM 1200 CG2 THR A 76 0.545 -9.381 -9.226 1.00 0.69 C ATOM 0 H THR A 76 -1.452 -10.031 -5.969 1.00 0.27 H new ATOM 0 HA THR A 76 0.172 -11.508 -7.738 1.00 0.26 H new ATOM 0 HB THR A 76 0.534 -8.552 -7.262 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.647 -8.456 -7.109 1.00 0.49 H new ATOM 0 HG21 THR A 76 0.365 -8.426 -9.719 1.00 0.69 H new ATOM 0 HG22 THR A 76 1.617 -9.578 -9.198 1.00 0.69 H new ATOM 0 HG23 THR A 76 0.044 -10.175 -9.780 1.00 0.69 H new ATOM 1208 N PRO A 77 2.644 -11.193 -7.176 1.00 0.19 N ATOM 1209 CA PRO A 77 4.062 -11.233 -6.779 1.00 0.18 C ATOM 1210 C PRO A 77 4.541 -10.076 -5.896 1.00 0.14 C ATOM 1211 O PRO A 77 4.303 -8.900 -6.181 1.00 0.16 O ATOM 1212 CB PRO A 77 4.759 -11.181 -8.129 1.00 0.30 C ATOM 1213 CG PRO A 77 3.882 -11.992 -9.020 1.00 0.36 C ATOM 1214 CD PRO A 77 2.472 -11.854 -8.487 1.00 0.28 C ATOM 0 HA PRO A 77 4.267 -12.105 -6.158 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.855 -10.157 -8.489 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.765 -11.596 -8.075 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.943 -11.638 -10.049 1.00 0.36 H new ATOM 0 HG3 PRO A 77 4.194 -13.036 -9.023 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.850 -11.258 -9.155 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.988 -12.825 -8.383 1.00 0.28 H new ATOM 1222 N LEU A 78 5.244 -10.458 -4.838 1.00 0.14 N ATOM 1223 CA LEU A 78 5.752 -9.551 -3.812 1.00 0.15 C ATOM 1224 C LEU A 78 6.807 -8.583 -4.344 1.00 0.16 C ATOM 1225 O LEU A 78 6.902 -7.447 -3.901 1.00 0.16 O ATOM 1226 CB LEU A 78 6.316 -10.369 -2.647 1.00 0.19 C ATOM 1227 CG LEU A 78 5.282 -11.207 -1.906 1.00 0.19 C ATOM 1228 CD1 LEU A 78 4.967 -12.493 -2.662 1.00 0.22 C ATOM 1229 CD2 LEU A 78 5.749 -11.530 -0.499 1.00 0.24 C ATOM 0 H LEU A 78 5.484 -11.434 -4.663 1.00 0.14 H new ATOM 0 HA LEU A 78 4.917 -8.939 -3.472 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.096 -11.029 -3.027 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.790 -9.690 -1.939 1.00 0.19 H new ATOM 0 HG LEU A 78 4.369 -10.615 -1.842 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.226 -13.069 -2.107 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.572 -12.248 -3.648 1.00 0.22 H new ATOM 0 HD13 LEU A 78 5.877 -13.083 -2.772 1.00 0.22 H new ATOM 0 HD21 LEU A 78 4.992 -12.129 0.007 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.683 -12.090 -0.545 1.00 0.24 H new ATOM 0 HD23 LEU A 78 5.908 -10.604 0.053 1.00 0.24 H new ATOM 1241 N SER A 79 7.617 -9.041 -5.274 1.00 0.18 N ATOM 1242 CA SER A 79 8.584 -8.166 -5.932 1.00 0.22 C ATOM 1243 C SER A 79 7.858 -7.002 -6.608 1.00 0.22 C ATOM 1244 O SER A 79 8.330 -5.867 -6.607 1.00 0.24 O ATOM 1245 CB SER A 79 9.414 -8.957 -6.949 1.00 0.27 C ATOM 1246 OG SER A 79 10.520 -8.204 -7.416 1.00 1.17 O ATOM 0 H SER A 79 7.631 -10.009 -5.596 1.00 0.18 H new ATOM 0 HA SER A 79 9.265 -7.761 -5.183 1.00 0.22 H new ATOM 0 HB2 SER A 79 9.769 -9.880 -6.491 1.00 0.27 H new ATOM 0 HB3 SER A 79 8.784 -9.241 -7.792 1.00 0.27 H new ATOM 0 HG SER A 79 11.029 -8.737 -8.062 1.00 1.17 H new ATOM 1252 N ALA A 80 6.692 -7.306 -7.159 1.00 0.20 N ATOM 1253 CA ALA A 80 5.847 -6.329 -7.833 1.00 0.22 C ATOM 1254 C ALA A 80 5.062 -5.482 -6.829 1.00 0.18 C ATOM 1255 O ALA A 80 4.287 -4.606 -7.212 1.00 0.19 O ATOM 1256 CB ALA A 80 4.898 -7.029 -8.793 1.00 0.27 C ATOM 0 H ALA A 80 6.301 -8.248 -7.151 1.00 0.20 H new ATOM 0 HA ALA A 80 6.494 -5.659 -8.399 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.272 -6.288 -9.290 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.474 -7.577 -9.539 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.267 -7.724 -8.239 1.00 0.27 H new ATOM 1262 N LEU A 81 5.259 -5.753 -5.543 1.00 0.14 N ATOM 1263 CA LEU A 81 4.410 -5.211 -4.489 1.00 0.13 C ATOM 1264 C LEU A 81 4.633 -3.714 -4.224 1.00 0.12 C ATOM 1265 O LEU A 81 4.268 -3.227 -3.159 1.00 0.11 O ATOM 1266 CB LEU A 81 4.583 -5.980 -3.187 1.00 0.13 C ATOM 1267 CG LEU A 81 3.300 -6.580 -2.604 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.183 -5.550 -2.552 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.869 -7.795 -3.405 1.00 0.19 C ATOM 0 H LEU A 81 6.010 -6.353 -5.203 1.00 0.14 H new ATOM 0 HA LEU A 81 3.391 -5.329 -4.858 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.298 -6.786 -3.353 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.021 -5.312 -2.446 1.00 0.13 H new ATOM 0 HG LEU A 81 3.512 -6.894 -1.582 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.286 -6.007 -2.134 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.490 -4.712 -1.926 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.971 -5.192 -3.559 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.956 -8.208 -2.976 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.685 -7.503 -4.439 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.656 -8.548 -3.376 1.00 0.19 H new ATOM 1281 N GLY A 82 5.200 -2.964 -5.168 1.00 0.12 N ATOM 1282 CA GLY A 82 5.410 -1.549 -4.899 1.00 0.12 C ATOM 1283 C GLY A 82 6.835 -1.154 -4.594 1.00 0.11 C ATOM 1284 O GLY A 82 7.049 -0.339 -3.699 1.00 0.12 O ATOM 0 H GLY A 82 5.508 -3.294 -6.083 1.00 0.12 H new ATOM 0 HA2 GLY A 82 5.069 -0.978 -5.762 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.782 -1.259 -4.057 1.00 0.12 H new ATOM 1288 N MET A 83 7.820 -1.737 -5.291 1.00 0.13 N ATOM 1289 CA MET A 83 9.212 -1.341 -5.067 1.00 0.15 C ATOM 1290 C MET A 83 9.454 0.122 -5.492 1.00 0.15 C ATOM 1291 O MET A 83 9.912 0.432 -6.594 1.00 0.19 O ATOM 1292 CB MET A 83 10.153 -2.283 -5.843 1.00 0.20 C ATOM 1293 CG MET A 83 9.918 -2.340 -7.355 1.00 0.49 C ATOM 1294 SD MET A 83 8.298 -2.999 -7.818 1.00 0.97 S ATOM 1295 CE MET A 83 8.429 -2.996 -9.603 1.00 1.79 C ATOM 0 H MET A 83 7.684 -2.463 -5.994 1.00 0.13 H new ATOM 0 HA MET A 83 9.422 -1.417 -4.000 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.182 -1.972 -5.663 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.049 -3.289 -5.437 1.00 0.20 H new ATOM 0 HG2 MET A 83 10.023 -1.337 -7.768 1.00 0.49 H new ATOM 0 HG3 MET A 83 10.694 -2.955 -7.811 1.00 0.49 H new ATOM 0 HE1 MET A 83 7.504 -3.377 -10.036 1.00 1.79 H new ATOM 0 HE2 MET A 83 8.602 -1.978 -9.953 1.00 1.79 H new ATOM 0 HE3 MET A 83 9.261 -3.631 -9.908 1.00 1.79 H new ATOM 1305 N GLN A 84 9.106 0.991 -4.572 1.00 0.14 N ATOM 1306 CA GLN A 84 9.457 2.394 -4.512 1.00 0.15 C ATOM 1307 C GLN A 84 9.037 2.777 -3.127 1.00 0.16 C ATOM 1308 O GLN A 84 8.546 1.893 -2.433 1.00 0.16 O ATOM 1309 CB GLN A 84 8.775 3.252 -5.574 1.00 0.16 C ATOM 1310 CG GLN A 84 7.270 3.073 -5.645 1.00 0.61 C ATOM 1311 CD GLN A 84 6.672 3.635 -6.920 1.00 1.08 C ATOM 1312 OE1 GLN A 84 5.541 4.124 -6.927 1.00 1.79 O ATOM 1313 NE2 GLN A 84 7.414 3.545 -8.014 1.00 1.61 N ATOM 0 H GLN A 84 8.523 0.714 -3.782 1.00 0.14 H new ATOM 0 HA GLN A 84 10.515 2.559 -4.717 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.996 4.301 -5.375 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.204 3.015 -6.547 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.031 2.012 -5.574 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.809 3.562 -4.787 1.00 0.61 H new ATOM 0 HE21 GLN A 84 8.346 3.133 -7.966 1.00 1.61 H new ATOM 0 HE22 GLN A 84 7.053 3.888 -8.904 1.00 1.61 H new ATOM 1322 N ASN A 85 9.229 3.999 -2.656 1.00 0.17 N ATOM 1323 CA ASN A 85 8.661 4.289 -1.337 1.00 0.17 C ATOM 1324 C ASN A 85 7.172 3.990 -1.392 1.00 0.16 C ATOM 1325 O ASN A 85 6.434 4.726 -1.995 1.00 0.18 O ATOM 1326 CB ASN A 85 8.868 5.759 -0.895 1.00 0.19 C ATOM 1327 CG ASN A 85 8.281 6.808 -1.838 1.00 0.28 C ATOM 1328 OD1 ASN A 85 7.831 7.856 -1.392 1.00 1.22 O ATOM 1329 ND2 ASN A 85 8.279 6.549 -3.141 1.00 0.99 N ATOM 0 H ASN A 85 9.731 4.757 -3.118 1.00 0.17 H new ATOM 0 HA ASN A 85 9.176 3.666 -0.606 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.424 5.891 0.092 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.937 5.944 -0.791 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.896 7.231 -3.796 1.00 0.99 H new ATOM 0 HD22 ASN A 85 8.660 5.668 -3.486 1.00 0.99 H new ATOM 1336 N GLY A 86 6.768 2.903 -0.747 1.00 0.15 N ATOM 1337 CA GLY A 86 5.370 2.515 -0.590 1.00 0.14 C ATOM 1338 C GLY A 86 4.539 2.367 -1.866 1.00 0.12 C ATOM 1339 O GLY A 86 3.560 1.637 -1.855 1.00 0.13 O ATOM 0 H GLY A 86 7.418 2.251 -0.308 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.341 1.565 -0.056 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.883 3.254 0.046 1.00 0.14 H new ATOM 1343 N CYS A 87 4.936 3.044 -2.937 1.00 0.11 N ATOM 1344 CA CYS A 87 4.185 3.160 -4.187 1.00 0.12 C ATOM 1345 C CYS A 87 2.791 3.754 -3.982 1.00 0.12 C ATOM 1346 O CYS A 87 2.626 4.726 -3.241 1.00 0.17 O ATOM 1347 CB CYS A 87 4.117 1.844 -4.956 1.00 0.23 C ATOM 1348 SG CYS A 87 3.074 0.552 -4.243 1.00 0.94 S ATOM 0 H CYS A 87 5.823 3.547 -2.962 1.00 0.11 H new ATOM 0 HA CYS A 87 4.747 3.863 -4.802 1.00 0.12 H new ATOM 0 HB2 CYS A 87 3.759 2.055 -5.964 1.00 0.23 H new ATOM 0 HB3 CYS A 87 5.129 1.452 -5.053 1.00 0.23 H new ATOM 0 HG CYS A 87 3.001 0.715 -2.955 1.00 0.94 H new ATOM 1354 N ARG A 88 1.799 3.198 -4.668 1.00 0.12 N ATOM 1355 CA ARG A 88 0.444 3.730 -4.631 1.00 0.13 C ATOM 1356 C ARG A 88 -0.555 2.591 -4.446 1.00 0.12 C ATOM 1357 O ARG A 88 -0.316 1.484 -4.922 1.00 0.15 O ATOM 1358 CB ARG A 88 0.122 4.497 -5.926 1.00 0.19 C ATOM 1359 CG ARG A 88 1.174 5.519 -6.342 1.00 0.82 C ATOM 1360 CD ARG A 88 2.274 4.897 -7.199 1.00 0.41 C ATOM 1361 NE ARG A 88 1.914 4.836 -8.616 1.00 0.90 N ATOM 1362 CZ ARG A 88 2.804 4.704 -9.602 1.00 1.29 C ATOM 1363 NH1 ARG A 88 4.094 4.556 -9.317 1.00 1.26 N ATOM 1364 NH2 ARG A 88 2.400 4.706 -10.866 1.00 2.07 N ATOM 0 H ARG A 88 1.910 2.374 -5.259 1.00 0.12 H new ATOM 0 HA ARG A 88 0.369 4.421 -3.791 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.006 3.778 -6.735 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -0.832 5.009 -5.801 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.695 6.325 -6.897 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.617 5.965 -5.452 1.00 0.82 H new ATOM 0 HD2 ARG A 88 3.190 5.476 -7.085 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.486 3.891 -6.838 1.00 0.41 H new ATOM 0 HE ARG A 88 0.927 4.898 -8.864 1.00 0.90 H new ATOM 0 HH11 ARG A 88 4.403 4.543 -8.345 1.00 1.26 H new ATOM 0 HH12 ARG A 88 4.774 4.455 -10.070 1.00 1.26 H new ATOM 0 HH21 ARG A 88 1.409 4.808 -11.084 1.00 2.07 H new ATOM 0 HH22 ARG A 88 3.081 4.605 -11.619 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.641 2.862 -3.716 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.744 1.912 -3.514 1.00 0.11 C ATOM 1380 C VAL A 89 -4.043 2.664 -3.274 1.00 0.11 C ATOM 1381 O VAL A 89 -4.180 3.389 -2.288 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.506 0.952 -2.328 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.489 -0.120 -2.673 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -2.069 1.724 -1.104 1.00 0.18 C ATOM 0 H VAL A 89 -1.782 3.755 -3.243 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.802 1.313 -4.423 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.450 0.453 -2.110 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.347 -0.777 -1.815 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.848 -0.703 -3.521 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.540 0.349 -2.932 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.905 1.033 -0.277 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.143 2.256 -1.321 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.843 2.441 -0.830 1.00 0.18 H new ATOM 1394 N MET A 90 -4.992 2.549 -4.181 1.00 0.11 N ATOM 1395 CA MET A 90 -6.262 3.207 -3.948 1.00 0.12 C ATOM 1396 C MET A 90 -7.426 2.252 -3.972 1.00 0.12 C ATOM 1397 O MET A 90 -7.558 1.413 -4.857 1.00 0.13 O ATOM 1398 CB MET A 90 -6.506 4.385 -4.863 1.00 0.16 C ATOM 1399 CG MET A 90 -7.241 4.058 -6.145 1.00 0.68 C ATOM 1400 SD MET A 90 -7.435 5.494 -7.220 1.00 1.30 S ATOM 1401 CE MET A 90 -8.297 4.762 -8.608 1.00 1.92 C ATOM 0 H MET A 90 -4.916 2.027 -5.054 1.00 0.11 H new ATOM 0 HA MET A 90 -6.187 3.606 -2.937 1.00 0.12 H new ATOM 0 HB2 MET A 90 -7.075 5.138 -4.317 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.546 4.834 -5.117 1.00 0.16 H new ATOM 0 HG2 MET A 90 -6.700 3.278 -6.681 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.224 3.655 -5.903 1.00 0.68 H new ATOM 0 HE1 MET A 90 -7.657 4.790 -9.490 1.00 1.92 H new ATOM 0 HE2 MET A 90 -8.549 3.727 -8.375 1.00 1.92 H new ATOM 0 HE3 MET A 90 -9.211 5.322 -8.805 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.257 2.379 -2.978 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.417 1.539 -2.849 1.00 0.12 C ATOM 1413 C LEU A 91 -10.665 2.316 -3.188 1.00 0.14 C ATOM 1414 O LEU A 91 -10.851 3.450 -2.741 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.517 0.904 -1.448 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.752 1.815 -0.217 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.932 3.083 -0.268 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.231 2.139 -0.035 1.00 0.14 C ATOM 0 H LEU A 91 -8.151 3.067 -2.233 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.315 0.718 -3.559 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.327 0.176 -1.476 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.595 0.349 -1.273 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.415 1.248 0.650 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.136 3.684 0.618 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.872 2.830 -0.299 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.196 3.651 -1.160 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.358 2.780 0.838 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.602 2.654 -0.921 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.791 1.215 0.108 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.502 1.732 -4.010 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.766 2.350 -4.301 1.00 0.23 C ATOM 1432 C ILE A 92 -13.883 1.545 -3.691 1.00 0.23 C ATOM 1433 O ILE A 92 -14.144 0.406 -4.067 1.00 0.26 O ATOM 1434 CB ILE A 92 -13.004 2.537 -5.817 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.862 3.344 -6.442 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -14.341 3.229 -6.065 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -11.962 3.479 -7.948 1.00 0.51 C ATOM 0 H ILE A 92 -11.333 0.844 -4.481 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.747 3.347 -3.860 1.00 0.23 H new ATOM 0 HB ILE A 92 -13.031 1.554 -6.286 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.847 4.339 -5.997 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.914 2.869 -6.191 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.493 3.353 -7.137 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.147 2.622 -5.652 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.339 4.207 -5.583 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -11.119 4.063 -8.318 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.946 2.489 -8.404 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.893 3.983 -8.207 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.511 2.161 -2.726 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.587 1.541 -2.009 1.00 0.28 C ATOM 1451 C GLY A 93 -15.886 2.322 -0.766 1.00 0.30 C ATOM 1452 O GLY A 93 -16.667 3.273 -0.799 1.00 0.45 O ATOM 0 H GLY A 93 -14.289 3.107 -2.416 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.475 1.490 -2.640 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.321 0.516 -1.750 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.241 1.958 0.325 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.438 2.658 1.572 1.00 0.26 C ATOM 1458 C GLU A 94 -14.201 2.639 2.457 1.00 0.24 C ATOM 1459 O GLU A 94 -13.721 1.582 2.858 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.617 2.046 2.312 1.00 0.32 C ATOM 1461 CG GLU A 94 -17.922 2.786 2.081 1.00 0.98 C ATOM 1462 CD GLU A 94 -19.071 2.215 2.877 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -19.085 2.393 4.113 1.00 2.17 O ATOM 1464 OE2 GLU A 94 -19.944 1.552 2.275 1.00 2.02 O ATOM 0 H GLU A 94 -14.579 1.184 0.370 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.640 3.702 1.335 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -16.735 1.009 1.998 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.399 2.033 3.380 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -17.790 3.835 2.345 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -18.170 2.753 1.020 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.678 3.820 2.734 1.00 0.25 N ATOM 1472 CA LYS A 95 -12.742 3.998 3.822 1.00 0.26 C ATOM 1473 C LYS A 95 -13.554 4.362 5.057 1.00 0.39 C ATOM 1474 O LYS A 95 -13.503 5.492 5.535 1.00 0.48 O ATOM 1475 CB LYS A 95 -11.732 5.114 3.515 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.557 4.718 2.621 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.537 5.847 2.544 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.306 5.487 1.716 1.00 0.35 C ATOM 1479 NZ LYS A 95 -7.366 6.636 1.633 1.00 1.19 N ATOM 0 H LYS A 95 -13.889 4.673 2.215 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.173 3.081 3.975 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.263 5.939 3.041 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.336 5.490 4.458 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.082 3.818 3.012 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.919 4.479 1.621 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -10.012 6.729 2.114 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.223 6.114 3.553 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.801 4.630 2.162 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.612 5.190 0.713 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.846 6.595 0.733 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.901 7.526 1.683 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -6.693 6.591 2.424 1.00 1.19 H new ATOM 1493 N SER A 96 -14.353 3.411 5.522 1.00 0.46 N ATOM 1494 CA SER A 96 -15.295 3.645 6.613 1.00 0.65 C ATOM 1495 C SER A 96 -14.590 3.867 7.957 1.00 0.80 C ATOM 1496 O SER A 96 -14.470 2.945 8.767 1.00 0.99 O ATOM 1497 CB SER A 96 -16.232 2.448 6.716 1.00 0.74 C ATOM 1498 OG SER A 96 -16.647 2.027 5.428 1.00 1.30 O ATOM 0 H SER A 96 -14.368 2.459 5.157 1.00 0.46 H new ATOM 0 HA SER A 96 -15.851 4.555 6.389 1.00 0.65 H new ATOM 0 HB2 SER A 96 -15.728 1.628 7.228 1.00 0.74 H new ATOM 0 HB3 SER A 96 -17.103 2.712 7.316 1.00 0.74 H new ATOM 0 HG SER A 96 -17.569 2.318 5.270 1.00 1.30 H new ATOM 1504 N ASN A 97 -14.130 5.087 8.189 1.00 1.03 N ATOM 1505 CA ASN A 97 -13.540 5.449 9.468 1.00 1.27 C ATOM 1506 C ASN A 97 -14.318 6.597 10.107 1.00 1.85 C ATOM 1507 O ASN A 97 -14.030 7.770 9.813 1.00 2.21 O ATOM 1508 CB ASN A 97 -12.046 5.796 9.320 1.00 1.62 C ATOM 1509 CG ASN A 97 -11.755 6.969 8.391 1.00 1.97 C ATOM 1510 OD1 ASN A 97 -12.498 7.252 7.451 1.00 2.51 O ATOM 1511 ND2 ASN A 97 -10.649 7.650 8.647 1.00 2.63 N ATOM 1512 OXT ASN A 97 -15.240 6.313 10.896 1.00 2.58 O ATOM 0 H ASN A 97 -14.154 5.844 7.506 1.00 1.03 H new ATOM 0 HA ASN A 97 -13.605 4.585 10.129 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -11.640 6.021 10.306 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -11.517 4.917 8.950 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -10.388 8.439 8.056 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -10.058 7.386 9.435 1.00 2.63 H new TER 1519 ASN A 97