USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 766 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 69 LYS NZ :NH3+ -144:sc= -0.264! (180deg=-3.46!) USER MOD Set 1.2: A 76 THR OG1 : rot -150:sc= 0.773 USER MOD Set 2.1: A 55 THR OG1 : rot -60:sc= 1.21 USER MOD Set 2.2: A 95 LYS NZ :NH3+ 160:sc= 2.02 (180deg=0.808) USER MOD Set 3.1: A 39 ASN : amide:sc= -0.229 K(o=0.69,f=-4!) USER MOD Set 3.2: A 40 SER OG : rot 43:sc= 0.918 USER MOD Set 4.1: A 24 HIS : no HD1:sc= -0.024 X(o=-0.024,f=0.07) USER MOD Set 4.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 10 THR OG1 : rot 180:sc= -0.782 USER MOD Set 5.2: A 19 SER OG : rot 82:sc= -0.898 USER MOD Set 6.1: A 3 LYS NZ :NH3+ 142:sc= 0.505 (180deg=-1.46!) USER MOD Set 6.2: A 9 GLN : amide:sc= -1.63! C(o=-13!,f=-17!) USER MOD Set 6.3: A 85 ASN : amide:sc= -11.4! C(o=-13!,f=-14!) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.194 (180deg=-0.744) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.29 (180deg=0.452) USER MOD Single : A 4 THR OG1 : rot -57:sc= -0.0813! USER MOD Single : A 7 MET CE :methyl -139:sc= -0.24 (180deg=-1.21) USER MOD Single : A 13 MET CE :methyl -144:sc= -0.147 (180deg=-0.685) USER MOD Single : A 15 THR OG1 : rot -25:sc= -0.827 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.41 USER MOD Single : A 36 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.17) USER MOD Single : A 37 GLN : amide:sc= -0.638 K(o=-0.64,f=0.2) USER MOD Single : A 45 GLN : amide:sc= -0.0403 K(o=-0.04,f=-2.1!) USER MOD Single : A 49 GLN : amide:sc= -2.28! K(o=-2.3!,f=0) USER MOD Single : A 62 GLN : amide:sc= -4.75! C(o=-4.8!,f=-7.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= 2.16 (180deg=1.29) USER MOD Single : A 70 SER OG : rot 26:sc= 0.612 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 71:sc= 1.28 USER MOD Single : A 83 MET CE :methyl -158:sc= -0.25 (180deg=-0.925) USER MOD Single : A 84 GLN : amide:sc= -2.87! C(o=-2.9!,f=-15!) USER MOD Single : A 87 CYS SG : rot 120:sc= -0.443 USER MOD Single : A 90 MET CE :methyl -168:sc= -0.0657 (180deg=-0.237) USER MOD Single : A 96 SER OG : rot -177:sc= 0.822 USER MOD Single : A 97 ASN : amide:sc= 0.161 K(o=0.16,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.296 13.466 -11.086 1.00 4.19 N ATOM 2 CA MET A 1 4.176 13.130 -9.943 1.00 3.57 C ATOM 3 C MET A 1 5.084 11.970 -10.319 1.00 2.58 C ATOM 4 O MET A 1 4.696 11.102 -11.103 1.00 2.86 O ATOM 5 CB MET A 1 3.354 12.766 -8.701 1.00 4.32 C ATOM 6 CG MET A 1 2.495 13.904 -8.163 1.00 5.05 C ATOM 7 SD MET A 1 1.080 14.279 -9.215 1.00 6.03 S ATOM 8 CE MET A 1 0.136 12.762 -9.075 1.00 6.63 C ATOM 0 H1 MET A 1 2.410 13.879 -10.732 1.00 4.19 H new ATOM 0 H2 MET A 1 3.775 14.152 -11.703 1.00 4.19 H new ATOM 0 H3 MET A 1 3.084 12.603 -11.627 1.00 4.19 H new ATOM 0 HA MET A 1 4.780 14.006 -9.706 1.00 3.57 H new ATOM 0 HB2 MET A 1 2.708 11.921 -8.941 1.00 4.32 H new ATOM 0 HB3 MET A 1 4.032 12.435 -7.915 1.00 4.32 H new ATOM 0 HG2 MET A 1 2.140 13.643 -7.166 1.00 5.05 H new ATOM 0 HG3 MET A 1 3.110 14.798 -8.059 1.00 5.05 H new ATOM 0 HE1 MET A 1 -0.907 12.958 -9.324 1.00 6.63 H new ATOM 0 HE2 MET A 1 0.539 12.018 -9.762 1.00 6.63 H new ATOM 0 HE3 MET A 1 0.201 12.386 -8.054 1.00 6.63 H new ATOM 19 N ALA A 2 6.286 11.954 -9.763 1.00 2.10 N ATOM 20 CA ALA A 2 7.272 10.951 -10.128 1.00 1.89 C ATOM 21 C ALA A 2 7.670 10.107 -8.926 1.00 1.69 C ATOM 22 O ALA A 2 8.819 10.139 -8.489 1.00 2.38 O ATOM 23 CB ALA A 2 8.496 11.617 -10.739 1.00 2.89 C ATOM 0 H ALA A 2 6.601 12.622 -9.060 1.00 2.10 H new ATOM 0 HA ALA A 2 6.824 10.288 -10.868 1.00 1.89 H new ATOM 0 HB1 ALA A 2 9.228 10.856 -11.009 1.00 2.89 H new ATOM 0 HB2 ALA A 2 8.202 12.170 -11.631 1.00 2.89 H new ATOM 0 HB3 ALA A 2 8.936 12.303 -10.015 1.00 2.89 H new ATOM 29 N LYS A 3 6.721 9.351 -8.393 1.00 1.22 N ATOM 30 CA LYS A 3 7.002 8.497 -7.253 1.00 0.97 C ATOM 31 C LYS A 3 7.639 7.200 -7.711 1.00 1.06 C ATOM 32 O LYS A 3 7.019 6.414 -8.434 1.00 1.96 O ATOM 33 CB LYS A 3 5.741 8.169 -6.466 1.00 0.75 C ATOM 34 CG LYS A 3 6.044 7.478 -5.148 1.00 0.46 C ATOM 35 CD LYS A 3 4.857 6.682 -4.643 1.00 0.42 C ATOM 36 CE LYS A 3 4.829 6.636 -3.129 1.00 0.29 C ATOM 37 NZ LYS A 3 4.996 7.972 -2.495 1.00 0.44 N ATOM 0 H LYS A 3 5.759 9.313 -8.729 1.00 1.22 H new ATOM 0 HA LYS A 3 7.686 9.046 -6.605 1.00 0.97 H new ATOM 0 HB2 LYS A 3 5.188 9.088 -6.272 1.00 0.75 H new ATOM 0 HB3 LYS A 3 5.096 7.529 -7.069 1.00 0.75 H new ATOM 0 HG2 LYS A 3 6.899 6.814 -5.274 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.325 8.223 -4.404 1.00 0.46 H new ATOM 0 HD2 LYS A 3 3.934 7.128 -5.013 1.00 0.42 H new ATOM 0 HD3 LYS A 3 4.902 5.667 -5.039 1.00 0.42 H new ATOM 0 HE2 LYS A 3 3.883 6.203 -2.803 1.00 0.29 H new ATOM 0 HE3 LYS A 3 5.620 5.974 -2.778 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 4.384 8.038 -1.657 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 5.988 8.099 -2.210 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 4.733 8.714 -3.175 1.00 0.44 H new ATOM 51 N THR A 4 8.876 6.991 -7.301 1.00 0.55 N ATOM 52 CA THR A 4 9.615 5.772 -7.613 1.00 0.59 C ATOM 53 C THR A 4 10.945 5.757 -6.863 1.00 0.59 C ATOM 54 O THR A 4 11.171 4.923 -5.984 1.00 0.84 O ATOM 55 CB THR A 4 9.929 5.600 -9.126 1.00 0.79 C ATOM 56 OG1 THR A 4 9.199 6.539 -9.930 1.00 1.37 O ATOM 57 CG2 THR A 4 9.593 4.188 -9.582 1.00 1.30 C ATOM 0 H THR A 4 9.402 7.661 -6.740 1.00 0.55 H new ATOM 0 HA THR A 4 8.965 4.952 -7.306 1.00 0.59 H new ATOM 0 HB THR A 4 10.995 5.787 -9.256 1.00 0.79 H new ATOM 0 HG1 THR A 4 8.239 6.433 -9.766 1.00 1.37 H new ATOM 0 HG21 THR A 4 9.819 4.085 -10.643 1.00 1.30 H new ATOM 0 HG22 THR A 4 10.186 3.471 -9.014 1.00 1.30 H new ATOM 0 HG23 THR A 4 8.533 3.995 -9.416 1.00 1.30 H new ATOM 65 N GLU A 5 11.794 6.733 -7.183 1.00 0.65 N ATOM 66 CA GLU A 5 13.193 6.721 -6.761 1.00 0.77 C ATOM 67 C GLU A 5 13.372 7.208 -5.325 1.00 0.71 C ATOM 68 O GLU A 5 14.498 7.343 -4.847 1.00 1.25 O ATOM 69 CB GLU A 5 14.033 7.593 -7.699 1.00 1.05 C ATOM 70 CG GLU A 5 13.823 7.293 -9.177 1.00 1.70 C ATOM 71 CD GLU A 5 13.983 5.824 -9.511 1.00 2.55 C ATOM 72 OE1 GLU A 5 15.113 5.309 -9.401 1.00 2.70 O ATOM 73 OE2 GLU A 5 12.986 5.176 -9.885 1.00 3.43 O ATOM 0 H GLU A 5 11.534 7.548 -7.738 1.00 0.65 H new ATOM 0 HA GLU A 5 13.530 5.685 -6.806 1.00 0.77 H new ATOM 0 HB2 GLU A 5 13.796 8.641 -7.514 1.00 1.05 H new ATOM 0 HB3 GLU A 5 15.087 7.458 -7.457 1.00 1.05 H new ATOM 0 HG2 GLU A 5 12.826 7.620 -9.470 1.00 1.70 H new ATOM 0 HG3 GLU A 5 14.534 7.873 -9.765 1.00 1.70 H new ATOM 80 N GLU A 6 12.269 7.499 -4.650 1.00 0.58 N ATOM 81 CA GLU A 6 12.318 7.916 -3.254 1.00 0.45 C ATOM 82 C GLU A 6 12.862 6.803 -2.381 1.00 0.38 C ATOM 83 O GLU A 6 14.047 6.770 -2.052 1.00 0.44 O ATOM 84 CB GLU A 6 10.927 8.281 -2.738 1.00 0.45 C ATOM 85 CG GLU A 6 10.351 9.572 -3.285 1.00 0.66 C ATOM 86 CD GLU A 6 10.154 9.519 -4.783 1.00 1.75 C ATOM 87 OE1 GLU A 6 9.600 8.509 -5.273 1.00 2.53 O ATOM 88 OE2 GLU A 6 10.572 10.465 -5.475 1.00 2.17 O ATOM 0 H GLU A 6 11.330 7.454 -5.045 1.00 0.58 H new ATOM 0 HA GLU A 6 12.971 8.788 -3.205 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.243 7.467 -2.978 1.00 0.45 H new ATOM 0 HB3 GLU A 6 10.968 8.353 -1.651 1.00 0.45 H new ATOM 0 HG2 GLU A 6 9.396 9.775 -2.801 1.00 0.66 H new ATOM 0 HG3 GLU A 6 11.016 10.399 -3.037 1.00 0.66 H new ATOM 95 N MET A 7 11.969 5.888 -2.024 1.00 0.32 N ATOM 96 CA MET A 7 12.273 4.820 -1.092 1.00 0.29 C ATOM 97 C MET A 7 12.835 5.371 0.211 1.00 0.34 C ATOM 98 O MET A 7 13.770 4.812 0.772 1.00 0.70 O ATOM 99 CB MET A 7 13.214 3.790 -1.717 1.00 0.35 C ATOM 100 CG MET A 7 12.472 2.624 -2.344 1.00 0.30 C ATOM 101 SD MET A 7 13.474 1.704 -3.526 1.00 0.45 S ATOM 102 CE MET A 7 13.768 2.961 -4.771 1.00 1.60 C ATOM 0 H MET A 7 11.012 5.870 -2.376 1.00 0.32 H new ATOM 0 HA MET A 7 11.340 4.308 -0.856 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.826 4.277 -2.476 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.894 3.414 -0.953 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.137 1.948 -1.557 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.579 2.997 -2.846 1.00 0.30 H new ATOM 0 HE1 MET A 7 13.683 2.517 -5.763 1.00 1.60 H new ATOM 0 HE2 MET A 7 13.031 3.757 -4.665 1.00 1.60 H new ATOM 0 HE3 MET A 7 14.769 3.374 -4.642 1.00 1.60 H new ATOM 112 N VAL A 8 12.259 6.494 0.657 1.00 0.31 N ATOM 113 CA VAL A 8 12.549 7.078 1.969 1.00 0.30 C ATOM 114 C VAL A 8 11.479 8.106 2.358 1.00 0.31 C ATOM 115 O VAL A 8 11.696 9.312 2.253 1.00 0.46 O ATOM 116 CB VAL A 8 13.941 7.773 2.052 1.00 0.39 C ATOM 117 CG1 VAL A 8 15.040 6.794 2.449 1.00 1.50 C ATOM 118 CG2 VAL A 8 14.295 8.460 0.739 1.00 1.12 C ATOM 0 H VAL A 8 11.576 7.024 0.115 1.00 0.31 H new ATOM 0 HA VAL A 8 12.551 6.235 2.660 1.00 0.30 H new ATOM 0 HB VAL A 8 13.870 8.532 2.831 1.00 0.39 H new ATOM 0 HG11 VAL A 8 15.995 7.318 2.496 1.00 1.50 H new ATOM 0 HG12 VAL A 8 14.812 6.368 3.426 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.100 5.995 1.710 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.272 8.936 0.829 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.323 7.721 -0.062 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.543 9.215 0.509 1.00 1.12 H new ATOM 128 N GLN A 9 10.315 7.627 2.790 1.00 0.23 N ATOM 129 CA GLN A 9 9.300 8.511 3.349 1.00 0.24 C ATOM 130 C GLN A 9 8.912 8.085 4.773 1.00 0.26 C ATOM 131 O GLN A 9 9.216 8.794 5.732 1.00 0.38 O ATOM 132 CB GLN A 9 8.075 8.599 2.434 1.00 0.26 C ATOM 133 CG GLN A 9 8.280 9.526 1.247 1.00 0.31 C ATOM 134 CD GLN A 9 7.028 9.702 0.406 1.00 1.15 C ATOM 135 OE1 GLN A 9 6.205 8.795 0.285 1.00 1.97 O ATOM 136 NE2 GLN A 9 6.870 10.882 -0.170 1.00 1.86 N ATOM 0 H GLN A 9 10.054 6.641 2.764 1.00 0.23 H new ATOM 0 HA GLN A 9 9.730 9.510 3.414 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.829 7.602 2.070 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.220 8.946 3.014 1.00 0.26 H new ATOM 0 HG2 GLN A 9 8.609 10.501 1.607 1.00 0.31 H new ATOM 0 HG3 GLN A 9 9.080 9.132 0.620 1.00 0.31 H new ATOM 0 HE21 GLN A 9 7.575 11.609 -0.046 1.00 1.86 H new ATOM 0 HE22 GLN A 9 6.043 11.065 -0.738 1.00 1.86 H new ATOM 145 N THR A 10 8.274 6.929 4.924 1.00 0.21 N ATOM 146 CA THR A 10 7.876 6.458 6.252 1.00 0.21 C ATOM 147 C THR A 10 8.689 5.231 6.673 1.00 0.21 C ATOM 148 O THR A 10 8.517 4.141 6.127 1.00 0.21 O ATOM 149 CB THR A 10 6.369 6.123 6.302 1.00 0.23 C ATOM 150 OG1 THR A 10 5.609 7.196 5.729 1.00 0.26 O ATOM 151 CG2 THR A 10 5.913 5.888 7.737 1.00 0.28 C ATOM 0 H THR A 10 8.023 6.306 4.156 1.00 0.21 H new ATOM 0 HA THR A 10 8.077 7.270 6.951 1.00 0.21 H new ATOM 0 HB THR A 10 6.204 5.211 5.728 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.655 6.975 5.763 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.849 5.654 7.747 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.472 5.055 8.165 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.092 6.786 8.327 1.00 0.28 H new ATOM 159 N GLU A 11 9.587 5.428 7.632 1.00 0.25 N ATOM 160 CA GLU A 11 10.498 4.378 8.074 1.00 0.28 C ATOM 161 C GLU A 11 9.908 3.503 9.190 1.00 0.25 C ATOM 162 O GLU A 11 8.962 3.883 9.884 1.00 0.40 O ATOM 163 CB GLU A 11 11.809 5.013 8.535 1.00 0.45 C ATOM 164 CG GLU A 11 12.960 4.035 8.693 1.00 0.47 C ATOM 165 CD GLU A 11 14.239 4.722 9.111 1.00 0.70 C ATOM 166 OE1 GLU A 11 14.955 5.239 8.230 1.00 1.50 O ATOM 167 OE2 GLU A 11 14.540 4.737 10.321 1.00 1.15 O ATOM 0 H GLU A 11 9.704 6.315 8.123 1.00 0.25 H new ATOM 0 HA GLU A 11 10.674 3.716 7.226 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.098 5.782 7.818 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.640 5.513 9.489 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.695 3.281 9.435 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.122 3.512 7.751 1.00 0.47 H new ATOM 174 N GLU A 12 10.520 2.333 9.332 1.00 0.31 N ATOM 175 CA GLU A 12 10.154 1.299 10.288 1.00 0.31 C ATOM 176 C GLU A 12 11.224 0.216 10.142 1.00 0.33 C ATOM 177 O GLU A 12 12.026 0.297 9.208 1.00 0.50 O ATOM 178 CB GLU A 12 8.750 0.755 9.991 1.00 0.38 C ATOM 179 CG GLU A 12 7.960 0.334 11.224 1.00 0.56 C ATOM 180 CD GLU A 12 8.139 -1.126 11.582 1.00 0.89 C ATOM 181 OE1 GLU A 12 9.081 -1.447 12.333 1.00 1.37 O ATOM 182 OE2 GLU A 12 7.343 -1.964 11.115 1.00 1.56 O ATOM 0 H GLU A 12 11.320 2.069 8.757 1.00 0.31 H new ATOM 0 HA GLU A 12 10.115 1.679 11.309 1.00 0.31 H new ATOM 0 HB2 GLU A 12 8.184 1.518 9.456 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.840 -0.102 9.323 1.00 0.38 H new ATOM 0 HG2 GLU A 12 8.267 0.948 12.070 1.00 0.56 H new ATOM 0 HG3 GLU A 12 6.902 0.532 11.054 1.00 0.56 H new ATOM 189 N MET A 13 11.241 -0.789 11.007 1.00 0.38 N ATOM 190 CA MET A 13 12.404 -1.675 11.109 1.00 0.46 C ATOM 191 C MET A 13 12.713 -2.461 9.828 1.00 0.40 C ATOM 192 O MET A 13 13.880 -2.579 9.463 1.00 0.49 O ATOM 193 CB MET A 13 12.239 -2.647 12.273 1.00 0.61 C ATOM 194 CG MET A 13 12.135 -1.970 13.630 1.00 0.92 C ATOM 195 SD MET A 13 12.078 -3.151 14.995 1.00 1.76 S ATOM 196 CE MET A 13 10.642 -4.119 14.538 1.00 2.64 C ATOM 0 H MET A 13 10.476 -1.014 11.643 1.00 0.38 H new ATOM 0 HA MET A 13 13.254 -1.014 11.281 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.345 -3.248 12.108 1.00 0.61 H new ATOM 0 HB3 MET A 13 13.086 -3.333 12.284 1.00 0.61 H new ATOM 0 HG2 MET A 13 12.988 -1.305 13.766 1.00 0.92 H new ATOM 0 HG3 MET A 13 11.239 -1.349 13.654 1.00 0.92 H new ATOM 0 HE1 MET A 13 10.096 -4.406 15.437 1.00 2.64 H new ATOM 0 HE2 MET A 13 9.993 -3.526 13.893 1.00 2.64 H new ATOM 0 HE3 MET A 13 10.962 -5.015 14.006 1.00 2.64 H new ATOM 206 N GLU A 14 11.715 -3.013 9.136 1.00 0.30 N ATOM 207 CA GLU A 14 12.014 -3.701 7.879 1.00 0.28 C ATOM 208 C GLU A 14 11.479 -2.932 6.676 1.00 0.31 C ATOM 209 O GLU A 14 11.437 -3.445 5.571 1.00 0.61 O ATOM 210 CB GLU A 14 11.508 -5.145 7.871 1.00 0.33 C ATOM 211 CG GLU A 14 12.017 -5.960 6.678 1.00 0.45 C ATOM 212 CD GLU A 14 13.530 -6.061 6.629 1.00 0.86 C ATOM 213 OE1 GLU A 14 14.092 -6.994 7.246 1.00 1.33 O ATOM 214 OE2 GLU A 14 14.163 -5.199 5.988 1.00 1.19 O ATOM 0 H GLU A 14 10.732 -3.001 9.409 1.00 0.30 H new ATOM 0 HA GLU A 14 13.100 -3.739 7.800 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.816 -5.635 8.795 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.418 -5.140 7.860 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.593 -6.963 6.723 1.00 0.45 H new ATOM 0 HG3 GLU A 14 11.659 -5.504 5.755 1.00 0.45 H new ATOM 221 N THR A 15 10.978 -1.741 6.896 1.00 0.20 N ATOM 222 CA THR A 15 10.695 -0.856 5.783 1.00 0.18 C ATOM 223 C THR A 15 11.961 -0.111 5.411 1.00 0.21 C ATOM 224 O THR A 15 12.763 0.220 6.287 1.00 0.30 O ATOM 225 CB THR A 15 9.598 0.159 6.101 1.00 0.23 C ATOM 226 OG1 THR A 15 10.087 1.100 7.045 1.00 1.04 O ATOM 227 CG2 THR A 15 8.365 -0.531 6.656 1.00 0.90 C ATOM 0 H THR A 15 10.759 -1.363 7.818 1.00 0.20 H new ATOM 0 HA THR A 15 10.341 -1.473 4.957 1.00 0.18 H new ATOM 0 HB THR A 15 9.318 0.670 5.180 1.00 0.23 H new ATOM 0 HG1 THR A 15 10.816 0.697 7.561 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.599 0.213 6.874 1.00 0.90 H new ATOM 0 HG22 THR A 15 7.983 -1.240 5.921 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.626 -1.062 7.571 1.00 0.90 H new ATOM 235 N PRO A 16 12.170 0.180 4.131 1.00 0.21 N ATOM 236 CA PRO A 16 13.279 0.999 3.709 1.00 0.24 C ATOM 237 C PRO A 16 12.861 2.452 3.733 1.00 0.21 C ATOM 238 O PRO A 16 13.255 3.246 2.886 1.00 0.22 O ATOM 239 CB PRO A 16 13.557 0.502 2.294 1.00 0.28 C ATOM 240 CG PRO A 16 12.284 -0.121 1.815 1.00 0.26 C ATOM 241 CD PRO A 16 11.331 -0.204 2.990 1.00 0.19 C ATOM 0 HA PRO A 16 14.163 0.930 4.343 1.00 0.24 H new ATOM 0 HB2 PRO A 16 13.857 1.324 1.644 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.372 -0.222 2.288 1.00 0.28 H new ATOM 0 HG2 PRO A 16 11.848 0.473 1.012 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.475 -1.114 1.409 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.483 0.470 2.869 1.00 0.19 H new ATOM 0 HD3 PRO A 16 10.925 -1.209 3.109 1.00 0.19 H new ATOM 249 N ARG A 17 12.042 2.773 4.737 1.00 0.21 N ATOM 250 CA ARG A 17 11.377 4.056 4.836 1.00 0.21 C ATOM 251 C ARG A 17 10.476 4.245 3.620 1.00 0.19 C ATOM 252 O ARG A 17 10.698 5.111 2.796 1.00 0.28 O ATOM 253 CB ARG A 17 12.402 5.191 4.950 1.00 0.26 C ATOM 254 CG ARG A 17 11.814 6.494 5.468 1.00 0.39 C ATOM 255 CD ARG A 17 12.863 7.594 5.546 1.00 0.37 C ATOM 256 NE ARG A 17 14.013 7.213 6.368 1.00 1.13 N ATOM 257 CZ ARG A 17 15.104 7.959 6.512 1.00 1.48 C ATOM 258 NH1 ARG A 17 15.181 9.151 5.929 1.00 1.46 N ATOM 259 NH2 ARG A 17 16.106 7.513 7.256 1.00 2.42 N ATOM 0 H ARG A 17 11.826 2.139 5.506 1.00 0.21 H new ATOM 0 HA ARG A 17 10.765 4.081 5.738 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.207 4.876 5.614 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.847 5.367 3.971 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.002 6.812 4.814 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.383 6.331 6.456 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.204 7.838 4.540 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.409 8.496 5.957 1.00 0.37 H new ATOM 0 HE ARG A 17 13.975 6.321 6.860 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.401 9.496 5.369 1.00 1.46 H new ATOM 0 HH12 ARG A 17 16.020 9.721 6.042 1.00 1.46 H new ATOM 0 HH21 ARG A 17 16.037 6.604 7.713 1.00 2.42 H new ATOM 0 HH22 ARG A 17 16.947 8.079 7.372 1.00 2.42 H new ATOM 273 N LEU A 18 9.464 3.407 3.487 1.00 0.16 N ATOM 274 CA LEU A 18 8.606 3.466 2.312 1.00 0.14 C ATOM 275 C LEU A 18 7.180 3.875 2.647 1.00 0.13 C ATOM 276 O LEU A 18 6.550 3.300 3.530 1.00 0.15 O ATOM 277 CB LEU A 18 8.593 2.132 1.592 1.00 0.19 C ATOM 278 CG LEU A 18 9.541 2.024 0.399 1.00 0.23 C ATOM 279 CD1 LEU A 18 10.924 2.514 0.761 1.00 0.25 C ATOM 280 CD2 LEU A 18 9.591 0.590 -0.109 1.00 0.27 C ATOM 0 H LEU A 18 9.216 2.687 4.165 1.00 0.16 H new ATOM 0 HA LEU A 18 9.026 4.233 1.662 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.845 1.349 2.307 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.578 1.934 1.247 1.00 0.19 H new ATOM 0 HG LEU A 18 9.160 2.660 -0.400 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.579 2.426 -0.106 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.871 3.557 1.072 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.321 1.912 1.578 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.270 0.529 -0.959 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.945 -0.066 0.687 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.593 0.279 -0.419 1.00 0.27 H new ATOM 292 N SER A 19 6.679 4.853 1.903 1.00 0.16 N ATOM 293 CA SER A 19 5.345 5.390 2.108 1.00 0.16 C ATOM 294 C SER A 19 4.541 5.380 0.805 1.00 0.14 C ATOM 295 O SER A 19 5.008 5.837 -0.236 1.00 0.18 O ATOM 296 CB SER A 19 5.460 6.805 2.642 1.00 0.23 C ATOM 297 OG SER A 19 4.193 7.365 2.937 1.00 0.67 O ATOM 0 H SER A 19 7.190 5.296 1.139 1.00 0.16 H new ATOM 0 HA SER A 19 4.818 4.764 2.828 1.00 0.16 H new ATOM 0 HB2 SER A 19 6.074 6.804 3.542 1.00 0.23 H new ATOM 0 HB3 SER A 19 5.970 7.429 1.908 1.00 0.23 H new ATOM 0 HG SER A 19 3.897 7.058 3.819 1.00 0.67 H new ATOM 303 N VAL A 20 3.335 4.863 0.901 1.00 0.14 N ATOM 304 CA VAL A 20 2.432 4.676 -0.224 1.00 0.14 C ATOM 305 C VAL A 20 1.320 5.718 -0.208 1.00 0.13 C ATOM 306 O VAL A 20 0.990 6.291 0.838 1.00 0.14 O ATOM 307 CB VAL A 20 1.780 3.279 -0.183 1.00 0.19 C ATOM 308 CG1 VAL A 20 0.819 3.182 0.970 1.00 0.89 C ATOM 309 CG2 VAL A 20 1.055 2.952 -1.473 1.00 0.85 C ATOM 0 H VAL A 20 2.940 4.551 1.788 1.00 0.14 H new ATOM 0 HA VAL A 20 3.027 4.781 -1.131 1.00 0.14 H new ATOM 0 HB VAL A 20 2.584 2.555 -0.054 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.367 2.190 0.985 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.354 3.351 1.905 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.038 3.934 0.857 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.611 1.959 -1.399 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.270 3.688 -1.646 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.761 2.973 -2.303 1.00 0.85 H new ATOM 319 N ILE A 21 0.752 5.954 -1.375 1.00 0.16 N ATOM 320 CA ILE A 21 -0.390 6.835 -1.509 1.00 0.18 C ATOM 321 C ILE A 21 -1.665 6.004 -1.463 1.00 0.16 C ATOM 322 O ILE A 21 -1.919 5.213 -2.371 1.00 0.20 O ATOM 323 CB ILE A 21 -0.333 7.544 -2.875 1.00 0.28 C ATOM 324 CG1 ILE A 21 1.122 7.865 -3.233 1.00 0.23 C ATOM 325 CG2 ILE A 21 -1.188 8.803 -2.872 1.00 0.50 C ATOM 326 CD1 ILE A 21 1.296 8.455 -4.616 1.00 0.73 C ATOM 0 H ILE A 21 1.068 5.542 -2.253 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.377 7.567 -0.702 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.739 6.876 -3.634 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.522 8.563 -2.498 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.714 6.953 -3.161 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -1.130 9.284 -3.848 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.224 8.539 -2.658 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.823 9.489 -2.107 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.352 8.655 -4.796 1.00 0.73 H new ATOM 0 HD12 ILE A 21 0.928 7.750 -5.361 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.733 9.386 -4.688 1.00 0.73 H new ATOM 338 N VAL A 22 -2.460 6.178 -0.412 1.00 0.14 N ATOM 339 CA VAL A 22 -3.752 5.514 -0.324 1.00 0.13 C ATOM 340 C VAL A 22 -4.857 6.517 -0.522 1.00 0.13 C ATOM 341 O VAL A 22 -4.963 7.479 0.240 1.00 0.20 O ATOM 342 CB VAL A 22 -3.994 4.831 1.035 1.00 0.15 C ATOM 343 CG1 VAL A 22 -5.183 3.892 0.941 1.00 0.16 C ATOM 344 CG2 VAL A 22 -2.754 4.097 1.511 1.00 0.20 C ATOM 0 H VAL A 22 -2.232 6.771 0.386 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.748 4.750 -1.101 1.00 0.13 H new ATOM 0 HB VAL A 22 -4.217 5.602 1.773 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.346 3.414 1.907 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -6.072 4.457 0.661 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -4.986 3.130 0.187 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.957 3.626 2.473 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.481 3.333 0.783 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.932 4.804 1.620 1.00 0.20 H new ATOM 354 N THR A 23 -5.679 6.298 -1.523 1.00 0.15 N ATOM 355 CA THR A 23 -6.790 7.184 -1.754 1.00 0.18 C ATOM 356 C THR A 23 -8.098 6.426 -1.974 1.00 0.15 C ATOM 357 O THR A 23 -8.133 5.312 -2.504 1.00 0.16 O ATOM 358 CB THR A 23 -6.514 8.187 -2.906 1.00 0.33 C ATOM 359 OG1 THR A 23 -7.707 8.906 -3.246 1.00 1.21 O ATOM 360 CG2 THR A 23 -5.961 7.500 -4.141 1.00 0.87 C ATOM 0 H THR A 23 -5.599 5.523 -2.181 1.00 0.15 H new ATOM 0 HA THR A 23 -6.907 7.769 -0.842 1.00 0.18 H new ATOM 0 HB THR A 23 -5.759 8.886 -2.545 1.00 0.33 H new ATOM 0 HG1 THR A 23 -7.514 9.535 -3.973 1.00 1.21 H new ATOM 0 HG21 THR A 23 -5.783 8.241 -4.921 1.00 0.87 H new ATOM 0 HG22 THR A 23 -5.023 7.003 -3.892 1.00 0.87 H new ATOM 0 HG23 THR A 23 -6.679 6.762 -4.499 1.00 0.87 H new ATOM 368 N HIS A 24 -9.144 7.029 -1.451 1.00 0.20 N ATOM 369 CA HIS A 24 -10.522 6.631 -1.682 1.00 0.24 C ATOM 370 C HIS A 24 -11.280 7.906 -1.979 1.00 0.34 C ATOM 371 O HIS A 24 -11.331 8.790 -1.120 1.00 0.38 O ATOM 372 CB HIS A 24 -11.102 5.921 -0.445 1.00 0.31 C ATOM 373 CG HIS A 24 -12.549 6.230 -0.144 1.00 0.47 C ATOM 374 ND1 HIS A 24 -13.603 5.776 -0.907 1.00 1.20 N ATOM 375 CD2 HIS A 24 -13.105 6.967 0.851 1.00 1.13 C ATOM 376 CE1 HIS A 24 -14.739 6.218 -0.397 1.00 1.08 C ATOM 377 NE2 HIS A 24 -14.463 6.942 0.669 1.00 0.96 N ATOM 0 H HIS A 24 -9.059 7.836 -0.833 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.598 5.924 -2.508 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.998 4.845 -0.582 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.501 6.191 0.424 1.00 0.31 H new ATOM 0 HD2 HIS A 24 -12.575 7.479 1.641 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.726 6.020 -0.788 1.00 1.08 H new ATOM 0 HE2 HIS A 24 -15.149 7.408 1.263 1.00 0.96 H new ATOM 386 N SER A 25 -11.804 8.024 -3.192 1.00 0.41 N ATOM 387 CA SER A 25 -12.484 9.247 -3.635 1.00 0.55 C ATOM 388 C SER A 25 -11.476 10.376 -3.907 1.00 0.60 C ATOM 389 O SER A 25 -11.515 11.019 -4.956 1.00 0.99 O ATOM 390 CB SER A 25 -13.509 9.690 -2.581 1.00 0.63 C ATOM 391 OG SER A 25 -14.583 8.769 -2.496 1.00 1.17 O ATOM 0 H SER A 25 -11.774 7.286 -3.895 1.00 0.41 H new ATOM 0 HA SER A 25 -13.003 9.029 -4.568 1.00 0.55 H new ATOM 0 HB2 SER A 25 -13.022 9.777 -1.610 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.892 10.678 -2.835 1.00 0.63 H new ATOM 0 HG SER A 25 -15.221 9.072 -1.817 1.00 1.17 H new ATOM 397 N ASN A 26 -10.557 10.558 -2.967 1.00 0.44 N ATOM 398 CA ASN A 26 -9.565 11.636 -2.979 1.00 0.50 C ATOM 399 C ASN A 26 -8.905 11.674 -1.611 1.00 0.43 C ATOM 400 O ASN A 26 -7.782 12.157 -1.447 1.00 0.47 O ATOM 401 CB ASN A 26 -10.193 13.005 -3.280 1.00 0.65 C ATOM 402 CG ASN A 26 -9.145 14.099 -3.422 1.00 1.42 C ATOM 403 OD1 ASN A 26 -8.021 13.847 -3.855 1.00 2.19 O ATOM 404 ND2 ASN A 26 -9.502 15.321 -3.057 1.00 2.02 N ATOM 0 H ASN A 26 -10.475 9.948 -2.154 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.842 11.436 -3.770 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.776 12.941 -4.199 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.885 13.269 -2.481 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -8.836 16.090 -3.131 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -10.443 15.493 -2.702 1.00 2.02 H new ATOM 411 N GLU A 27 -9.644 11.164 -0.628 1.00 0.41 N ATOM 412 CA GLU A 27 -9.141 10.987 0.725 1.00 0.42 C ATOM 413 C GLU A 27 -7.828 10.207 0.706 1.00 0.37 C ATOM 414 O GLU A 27 -7.730 9.159 0.074 1.00 0.49 O ATOM 415 CB GLU A 27 -10.184 10.256 1.565 1.00 0.50 C ATOM 416 CG GLU A 27 -9.630 9.734 2.881 1.00 0.58 C ATOM 417 CD GLU A 27 -10.546 8.750 3.567 1.00 1.21 C ATOM 418 OE1 GLU A 27 -11.568 9.196 4.123 1.00 1.75 O ATOM 419 OE2 GLU A 27 -10.257 7.540 3.549 1.00 1.58 O ATOM 0 H GLU A 27 -10.610 10.862 -0.752 1.00 0.41 H new ATOM 0 HA GLU A 27 -8.950 11.965 1.167 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.015 10.931 1.770 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.585 9.421 0.990 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -8.667 9.257 2.698 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -9.447 10.575 3.549 1.00 0.58 H new ATOM 426 N ARG A 28 -6.850 10.703 1.439 1.00 0.33 N ATOM 427 CA ARG A 28 -5.481 10.232 1.322 1.00 0.33 C ATOM 428 C ARG A 28 -4.834 10.056 2.687 1.00 0.30 C ATOM 429 O ARG A 28 -4.817 10.968 3.512 1.00 0.36 O ATOM 430 CB ARG A 28 -4.656 11.220 0.479 1.00 0.48 C ATOM 431 CG ARG A 28 -3.148 11.172 0.737 1.00 0.72 C ATOM 432 CD ARG A 28 -2.483 9.920 0.169 1.00 0.76 C ATOM 433 NE ARG A 28 -1.094 9.790 0.622 1.00 1.75 N ATOM 434 CZ ARG A 28 -0.058 10.454 0.094 1.00 2.38 C ATOM 435 NH1 ARG A 28 -0.243 11.324 -0.895 1.00 2.45 N ATOM 436 NH2 ARG A 28 1.167 10.245 0.562 1.00 3.31 N ATOM 0 H ARG A 28 -6.980 11.441 2.131 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.503 9.260 0.830 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -4.838 11.017 -0.576 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -5.013 12.231 0.675 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -2.682 12.054 0.298 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -2.967 11.217 1.811 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -3.048 9.039 0.472 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -2.509 9.957 -0.920 1.00 0.76 H new ATOM 0 HE ARG A 28 -0.904 9.149 1.393 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -1.181 11.491 -1.259 1.00 2.45 H new ATOM 0 HH12 ARG A 28 0.553 11.824 -1.290 1.00 2.45 H new ATOM 0 HH21 ARG A 28 1.316 9.580 1.321 1.00 3.31 H new ATOM 0 HH22 ARG A 28 1.959 10.749 0.162 1.00 3.31 H new ATOM 450 N TYR A 29 -4.307 8.871 2.905 1.00 0.28 N ATOM 451 CA TYR A 29 -3.440 8.602 4.036 1.00 0.27 C ATOM 452 C TYR A 29 -2.133 8.050 3.511 1.00 0.25 C ATOM 453 O TYR A 29 -2.137 7.226 2.595 1.00 0.27 O ATOM 454 CB TYR A 29 -4.073 7.605 5.009 1.00 0.34 C ATOM 455 CG TYR A 29 -5.217 8.171 5.812 1.00 0.93 C ATOM 456 CD1 TYR A 29 -4.989 8.875 6.986 1.00 1.30 C ATOM 457 CD2 TYR A 29 -6.528 8.011 5.385 1.00 1.65 C ATOM 458 CE1 TYR A 29 -6.037 9.405 7.712 1.00 1.95 C ATOM 459 CE2 TYR A 29 -7.581 8.535 6.107 1.00 2.31 C ATOM 460 CZ TYR A 29 -7.317 9.194 7.315 1.00 2.36 C ATOM 461 OH TYR A 29 -8.375 9.765 7.985 1.00 3.09 O ATOM 0 H TYR A 29 -4.467 8.064 2.303 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.275 9.530 4.584 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.430 6.742 4.447 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.305 7.245 5.694 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -3.977 9.010 7.337 1.00 1.30 H new ATOM 0 HD2 TYR A 29 -6.727 7.468 4.473 1.00 1.65 H new ATOM 0 HE1 TYR A 29 -5.837 9.989 8.598 1.00 1.95 H new ATOM 0 HE2 TYR A 29 -8.594 8.438 5.746 1.00 2.31 H new ATOM 0 HH TYR A 29 -9.215 9.501 7.555 1.00 3.09 H new ATOM 471 N ASP A 30 -1.020 8.532 4.027 1.00 0.27 N ATOM 472 CA ASP A 30 0.256 7.958 3.660 1.00 0.30 C ATOM 473 C ASP A 30 0.488 6.712 4.498 1.00 0.25 C ATOM 474 O ASP A 30 0.513 6.754 5.727 1.00 0.34 O ATOM 475 CB ASP A 30 1.400 8.973 3.807 1.00 0.50 C ATOM 476 CG ASP A 30 1.526 9.556 5.199 1.00 1.27 C ATOM 477 OD1 ASP A 30 0.537 10.144 5.690 1.00 1.99 O ATOM 478 OD2 ASP A 30 2.629 9.475 5.782 1.00 2.01 O ATOM 0 H ASP A 30 -0.973 9.306 4.690 1.00 0.27 H new ATOM 0 HA ASP A 30 0.238 7.680 2.606 1.00 0.30 H new ATOM 0 HB2 ASP A 30 2.339 8.489 3.540 1.00 0.50 H new ATOM 0 HB3 ASP A 30 1.246 9.785 3.096 1.00 0.50 H new ATOM 483 N LEU A 31 0.623 5.604 3.809 1.00 0.18 N ATOM 484 CA LEU A 31 0.701 4.297 4.435 1.00 0.15 C ATOM 485 C LEU A 31 2.088 3.740 4.193 1.00 0.14 C ATOM 486 O LEU A 31 2.738 4.134 3.240 1.00 0.18 O ATOM 487 CB LEU A 31 -0.375 3.390 3.836 1.00 0.15 C ATOM 488 CG LEU A 31 -1.238 2.622 4.826 1.00 0.14 C ATOM 489 CD1 LEU A 31 -0.425 1.530 5.505 1.00 0.17 C ATOM 490 CD2 LEU A 31 -1.822 3.575 5.856 1.00 0.16 C ATOM 0 H LEU A 31 0.683 5.579 2.791 1.00 0.18 H new ATOM 0 HA LEU A 31 0.527 4.363 5.509 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.029 4.001 3.214 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.112 2.671 3.177 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.058 2.149 4.285 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.058 0.990 6.210 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.047 0.837 4.753 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.413 1.979 6.039 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.438 3.016 6.560 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -1.013 4.069 6.394 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.434 4.324 5.353 1.00 0.16 H new ATOM 502 N LEU A 32 2.581 2.870 5.042 1.00 0.15 N ATOM 503 CA LEU A 32 3.953 2.438 4.883 1.00 0.16 C ATOM 504 C LEU A 32 4.008 0.993 4.399 1.00 0.14 C ATOM 505 O LEU A 32 3.194 0.162 4.799 1.00 0.14 O ATOM 506 CB LEU A 32 4.741 2.689 6.184 1.00 0.19 C ATOM 507 CG LEU A 32 5.239 1.470 6.968 1.00 0.22 C ATOM 508 CD1 LEU A 32 6.225 1.925 8.031 1.00 0.52 C ATOM 509 CD2 LEU A 32 4.083 0.728 7.629 1.00 0.73 C ATOM 0 H LEU A 32 2.075 2.457 5.826 1.00 0.15 H new ATOM 0 HA LEU A 32 4.441 3.030 4.108 1.00 0.16 H new ATOM 0 HB2 LEU A 32 5.606 3.304 5.937 1.00 0.19 H new ATOM 0 HB3 LEU A 32 4.110 3.279 6.849 1.00 0.19 H new ATOM 0 HG LEU A 32 5.726 0.788 6.271 1.00 0.22 H new ATOM 0 HD11 LEU A 32 6.581 1.060 8.591 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.070 2.422 7.555 1.00 0.52 H new ATOM 0 HD13 LEU A 32 5.732 2.619 8.711 1.00 0.52 H new ATOM 0 HD21 LEU A 32 4.468 -0.131 8.177 1.00 0.73 H new ATOM 0 HD22 LEU A 32 3.568 1.397 8.318 1.00 0.73 H new ATOM 0 HD23 LEU A 32 3.385 0.387 6.864 1.00 0.73 H new ATOM 521 N VAL A 33 4.972 0.715 3.529 1.00 0.14 N ATOM 522 CA VAL A 33 5.094 -0.590 2.886 1.00 0.14 C ATOM 523 C VAL A 33 5.404 -1.643 3.935 1.00 0.14 C ATOM 524 O VAL A 33 6.082 -1.361 4.920 1.00 0.15 O ATOM 525 CB VAL A 33 6.186 -0.573 1.769 1.00 0.17 C ATOM 526 CG1 VAL A 33 7.135 -1.763 1.868 1.00 0.98 C ATOM 527 CG2 VAL A 33 5.522 -0.548 0.406 1.00 1.15 C ATOM 0 H VAL A 33 5.689 1.384 3.250 1.00 0.14 H new ATOM 0 HA VAL A 33 4.147 -0.834 2.405 1.00 0.14 H new ATOM 0 HB VAL A 33 6.784 0.327 1.907 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.875 -1.705 1.070 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.640 -1.746 2.834 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.568 -2.689 1.771 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.286 -0.536 -0.371 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.899 -1.435 0.289 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.903 0.345 0.319 1.00 1.15 H new ATOM 537 N THR A 34 4.919 -2.857 3.717 1.00 0.14 N ATOM 538 CA THR A 34 4.819 -3.820 4.791 1.00 0.17 C ATOM 539 C THR A 34 6.137 -4.536 5.026 1.00 0.17 C ATOM 540 O THR A 34 6.683 -5.213 4.148 1.00 0.18 O ATOM 541 CB THR A 34 3.706 -4.843 4.502 1.00 0.19 C ATOM 542 OG1 THR A 34 2.495 -4.149 4.178 1.00 0.21 O ATOM 543 CG2 THR A 34 3.466 -5.745 5.705 1.00 0.23 C ATOM 0 H THR A 34 4.592 -3.192 2.811 1.00 0.14 H new ATOM 0 HA THR A 34 4.569 -3.270 5.698 1.00 0.17 H new ATOM 0 HB THR A 34 4.018 -5.464 3.663 1.00 0.19 H new ATOM 0 HG1 THR A 34 1.734 -4.608 4.592 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.675 -6.458 5.473 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.382 -6.285 5.944 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.169 -5.139 6.561 1.00 0.23 H new ATOM 551 N PRO A 35 6.664 -4.352 6.246 1.00 0.18 N ATOM 552 CA PRO A 35 7.936 -4.917 6.679 1.00 0.20 C ATOM 553 C PRO A 35 7.908 -6.437 6.764 1.00 0.23 C ATOM 554 O PRO A 35 6.842 -7.052 6.795 1.00 0.35 O ATOM 555 CB PRO A 35 8.156 -4.309 8.066 1.00 0.27 C ATOM 556 CG PRO A 35 6.794 -3.957 8.544 1.00 0.32 C ATOM 557 CD PRO A 35 6.027 -3.560 7.319 1.00 0.22 C ATOM 0 HA PRO A 35 8.732 -4.690 5.970 1.00 0.20 H new ATOM 0 HB2 PRO A 35 8.640 -5.018 8.737 1.00 0.27 H new ATOM 0 HB3 PRO A 35 8.798 -3.429 8.016 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.323 -4.803 9.044 1.00 0.32 H new ATOM 0 HG3 PRO A 35 6.831 -3.141 9.265 1.00 0.32 H new ATOM 0 HD2 PRO A 35 4.967 -3.793 7.415 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.102 -2.490 7.127 1.00 0.22 H new ATOM 565 N GLN A 36 9.108 -7.009 6.758 1.00 0.26 N ATOM 566 CA GLN A 36 9.346 -8.451 6.864 1.00 0.29 C ATOM 567 C GLN A 36 9.329 -9.114 5.496 1.00 0.30 C ATOM 568 O GLN A 36 9.226 -10.336 5.390 1.00 0.73 O ATOM 569 CB GLN A 36 8.375 -9.163 7.818 1.00 0.42 C ATOM 570 CG GLN A 36 8.533 -8.766 9.277 1.00 0.59 C ATOM 571 CD GLN A 36 7.855 -9.740 10.226 1.00 0.98 C ATOM 572 OE1 GLN A 36 7.370 -9.359 11.293 1.00 1.69 O ATOM 573 NE2 GLN A 36 7.816 -11.009 9.847 1.00 1.72 N ATOM 0 H GLN A 36 9.970 -6.469 6.677 1.00 0.26 H new ATOM 0 HA GLN A 36 10.341 -8.555 7.298 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.353 -8.951 7.504 1.00 0.42 H new ATOM 0 HB3 GLN A 36 8.519 -10.240 7.728 1.00 0.42 H new ATOM 0 HG2 GLN A 36 9.594 -8.707 9.520 1.00 0.59 H new ATOM 0 HG3 GLN A 36 8.116 -7.770 9.426 1.00 0.59 H new ATOM 0 HE21 GLN A 36 8.228 -11.288 8.957 1.00 1.72 H new ATOM 0 HE22 GLN A 36 7.374 -11.707 10.446 1.00 1.72 H new ATOM 582 N GLN A 37 9.428 -8.306 4.447 1.00 0.33 N ATOM 583 CA GLN A 37 9.641 -8.844 3.115 1.00 0.26 C ATOM 584 C GLN A 37 11.120 -8.772 2.773 1.00 0.30 C ATOM 585 O GLN A 37 11.925 -9.585 3.222 1.00 0.74 O ATOM 586 CB GLN A 37 8.855 -8.081 2.040 1.00 0.23 C ATOM 587 CG GLN A 37 8.130 -9.005 1.074 1.00 0.26 C ATOM 588 CD GLN A 37 9.034 -10.080 0.488 1.00 0.44 C ATOM 589 OE1 GLN A 37 9.704 -9.869 -0.523 1.00 1.02 O ATOM 590 NE2 GLN A 37 9.040 -11.252 1.101 1.00 1.42 N ATOM 0 H GLN A 37 9.365 -7.289 4.494 1.00 0.33 H new ATOM 0 HA GLN A 37 9.287 -9.875 3.124 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.130 -7.426 2.523 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.539 -7.442 1.481 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.297 -9.481 1.591 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.706 -8.413 0.263 1.00 0.26 H new ATOM 0 HE21 GLN A 37 8.473 -11.393 1.937 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.612 -12.015 0.738 1.00 1.42 H new ATOM 599 N GLY A 38 11.454 -7.758 2.002 1.00 0.43 N ATOM 600 CA GLY A 38 12.820 -7.446 1.679 1.00 0.34 C ATOM 601 C GLY A 38 12.953 -5.957 1.668 1.00 0.38 C ATOM 602 O GLY A 38 13.815 -5.408 0.989 1.00 0.83 O ATOM 0 H GLY A 38 10.774 -7.125 1.581 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.497 -7.885 2.412 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.088 -7.862 0.708 1.00 0.34 H new ATOM 606 N ASN A 39 12.034 -5.341 2.434 1.00 0.27 N ATOM 607 CA ASN A 39 11.781 -3.890 2.504 1.00 0.22 C ATOM 608 C ASN A 39 11.474 -3.258 1.150 1.00 0.21 C ATOM 609 O ASN A 39 10.502 -2.518 1.017 1.00 0.27 O ATOM 610 CB ASN A 39 12.885 -3.103 3.239 1.00 0.29 C ATOM 611 CG ASN A 39 14.280 -3.243 2.668 1.00 0.40 C ATOM 612 OD1 ASN A 39 14.629 -2.595 1.681 1.00 1.06 O ATOM 613 ND2 ASN A 39 15.101 -4.058 3.311 1.00 1.11 N ATOM 0 H ASN A 39 11.417 -5.868 3.052 1.00 0.27 H new ATOM 0 HA ASN A 39 10.877 -3.812 3.108 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.616 -2.047 3.237 1.00 0.29 H new ATOM 0 HB3 ASN A 39 12.904 -3.425 4.280 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.064 -4.168 2.993 1.00 1.11 H new ATOM 0 HD22 ASN A 39 14.771 -4.577 4.125 1.00 1.11 H new ATOM 620 N SER A 40 12.257 -3.582 0.155 1.00 0.24 N ATOM 621 CA SER A 40 12.185 -2.929 -1.136 1.00 0.32 C ATOM 622 C SER A 40 11.081 -3.529 -1.987 1.00 0.32 C ATOM 623 O SER A 40 10.650 -2.933 -2.964 1.00 0.50 O ATOM 624 CB SER A 40 13.524 -3.078 -1.842 1.00 0.40 C ATOM 625 OG SER A 40 14.563 -2.424 -1.122 1.00 1.42 O ATOM 0 H SER A 40 12.969 -4.310 0.213 1.00 0.24 H new ATOM 0 HA SER A 40 11.959 -1.873 -0.987 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.764 -4.136 -1.951 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.456 -2.661 -2.847 1.00 0.40 H new ATOM 0 HG SER A 40 14.461 -2.605 -0.164 1.00 1.42 H new ATOM 631 N GLU A 41 10.610 -4.694 -1.585 1.00 0.24 N ATOM 632 CA GLU A 41 9.650 -5.444 -2.361 1.00 0.31 C ATOM 633 C GLU A 41 8.645 -6.027 -1.401 1.00 0.26 C ATOM 634 O GLU A 41 8.887 -7.058 -0.798 1.00 0.30 O ATOM 635 CB GLU A 41 10.350 -6.537 -3.173 1.00 0.45 C ATOM 636 CG GLU A 41 11.252 -5.981 -4.266 1.00 1.12 C ATOM 637 CD GLU A 41 12.171 -7.021 -4.863 1.00 1.32 C ATOM 638 OE1 GLU A 41 11.761 -7.720 -5.812 1.00 1.66 O ATOM 639 OE2 GLU A 41 13.324 -7.134 -4.399 1.00 1.83 O ATOM 0 H GLU A 41 10.884 -5.144 -0.712 1.00 0.24 H new ATOM 0 HA GLU A 41 9.144 -4.797 -3.077 1.00 0.31 H new ATOM 0 HB2 GLU A 41 10.943 -7.158 -2.501 1.00 0.45 H new ATOM 0 HB3 GLU A 41 9.598 -7.184 -3.624 1.00 0.45 H new ATOM 0 HG2 GLU A 41 10.634 -5.554 -5.056 1.00 1.12 H new ATOM 0 HG3 GLU A 41 11.851 -5.168 -3.856 1.00 1.12 H new ATOM 646 N PRO A 42 7.538 -5.319 -1.215 1.00 0.22 N ATOM 647 CA PRO A 42 6.539 -5.602 -0.175 1.00 0.21 C ATOM 648 C PRO A 42 5.875 -6.975 -0.304 1.00 0.20 C ATOM 649 O PRO A 42 5.966 -7.634 -1.333 1.00 0.20 O ATOM 650 CB PRO A 42 5.507 -4.495 -0.362 1.00 0.23 C ATOM 651 CG PRO A 42 6.209 -3.434 -1.126 1.00 0.26 C ATOM 652 CD PRO A 42 7.167 -4.148 -2.018 1.00 0.24 C ATOM 0 HA PRO A 42 7.003 -5.625 0.811 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.634 -4.858 -0.904 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.153 -4.120 0.598 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.505 -2.837 -1.705 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.732 -2.750 -0.457 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.705 -4.434 -2.963 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.033 -3.531 -2.260 1.00 0.24 H new ATOM 660 N VAL A 43 5.220 -7.407 0.771 1.00 0.21 N ATOM 661 CA VAL A 43 4.591 -8.723 0.813 1.00 0.22 C ATOM 662 C VAL A 43 3.270 -8.735 0.052 1.00 0.19 C ATOM 663 O VAL A 43 2.694 -7.683 -0.203 1.00 0.17 O ATOM 664 CB VAL A 43 4.313 -9.187 2.262 1.00 0.26 C ATOM 665 CG1 VAL A 43 5.602 -9.370 3.046 1.00 0.32 C ATOM 666 CG2 VAL A 43 3.402 -8.206 2.982 1.00 0.24 C ATOM 0 H VAL A 43 5.111 -6.862 1.627 1.00 0.21 H new ATOM 0 HA VAL A 43 5.298 -9.406 0.343 1.00 0.22 H new ATOM 0 HB VAL A 43 3.811 -10.153 2.200 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.368 -9.696 4.059 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.222 -10.121 2.557 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.142 -8.424 3.085 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.222 -8.555 3.999 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.876 -7.225 3.014 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.453 -8.133 2.450 1.00 0.24 H new ATOM 676 N VAL A 44 2.775 -9.931 -0.267 1.00 0.22 N ATOM 677 CA VAL A 44 1.474 -10.093 -0.926 1.00 0.22 C ATOM 678 C VAL A 44 0.381 -9.359 -0.153 1.00 0.20 C ATOM 679 O VAL A 44 -0.601 -8.918 -0.720 1.00 0.25 O ATOM 680 CB VAL A 44 1.091 -11.582 -1.066 1.00 0.27 C ATOM 681 CG1 VAL A 44 1.897 -12.241 -2.173 1.00 0.36 C ATOM 682 CG2 VAL A 44 1.296 -12.320 0.249 1.00 0.36 C ATOM 0 H VAL A 44 3.258 -10.810 -0.079 1.00 0.22 H new ATOM 0 HA VAL A 44 1.563 -9.662 -1.923 1.00 0.22 H new ATOM 0 HB VAL A 44 0.034 -11.635 -1.328 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.612 -13.290 -2.255 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.698 -11.736 -3.118 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.960 -12.171 -1.941 1.00 0.36 H new ATOM 0 HG21 VAL A 44 1.020 -13.367 0.126 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.343 -12.254 0.544 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.672 -11.869 1.021 1.00 0.36 H new ATOM 692 N GLN A 45 0.572 -9.273 1.149 1.00 0.19 N ATOM 693 CA GLN A 45 -0.351 -8.596 2.053 1.00 0.19 C ATOM 694 C GLN A 45 -0.381 -7.091 1.820 1.00 0.16 C ATOM 695 O GLN A 45 -1.421 -6.450 1.960 1.00 0.19 O ATOM 696 CB GLN A 45 0.055 -8.861 3.499 1.00 0.25 C ATOM 697 CG GLN A 45 -0.138 -10.301 3.928 1.00 0.62 C ATOM 698 CD GLN A 45 -1.557 -10.605 4.372 1.00 0.89 C ATOM 699 OE1 GLN A 45 -2.515 -9.971 3.932 1.00 1.66 O ATOM 700 NE2 GLN A 45 -1.698 -11.586 5.253 1.00 1.44 N ATOM 0 H GLN A 45 1.382 -9.675 1.620 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.347 -8.992 1.854 1.00 0.19 H new ATOM 0 HB2 GLN A 45 1.102 -8.589 3.629 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.527 -8.214 4.156 1.00 0.25 H new ATOM 0 HG2 GLN A 45 0.126 -10.959 3.100 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.548 -10.526 4.745 1.00 0.62 H new ATOM 0 HE21 GLN A 45 -0.878 -12.088 5.593 1.00 1.44 H new ATOM 0 HE22 GLN A 45 -2.627 -11.839 5.590 1.00 1.44 H new ATOM 709 N ASP A 46 0.771 -6.546 1.443 1.00 0.15 N ATOM 710 CA ASP A 46 1.035 -5.113 1.535 1.00 0.14 C ATOM 711 C ASP A 46 0.058 -4.261 0.738 1.00 0.14 C ATOM 712 O ASP A 46 -0.402 -3.235 1.234 1.00 0.15 O ATOM 713 CB ASP A 46 2.478 -4.815 1.107 1.00 0.17 C ATOM 714 CG ASP A 46 2.678 -3.368 0.697 1.00 0.14 C ATOM 715 OD1 ASP A 46 2.378 -3.045 -0.465 1.00 0.17 O ATOM 716 OD2 ASP A 46 3.113 -2.552 1.550 1.00 0.16 O ATOM 0 H ASP A 46 1.549 -7.086 1.064 1.00 0.15 H new ATOM 0 HA ASP A 46 0.893 -4.838 2.580 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.153 -5.052 1.929 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.748 -5.465 0.275 1.00 0.17 H new ATOM 721 N LEU A 47 -0.281 -4.672 -0.473 1.00 0.18 N ATOM 722 CA LEU A 47 -1.154 -3.883 -1.303 1.00 0.22 C ATOM 723 C LEU A 47 -2.514 -3.691 -0.620 1.00 0.19 C ATOM 724 O LEU A 47 -3.071 -2.586 -0.604 1.00 0.22 O ATOM 725 CB LEU A 47 -1.297 -4.550 -2.675 1.00 0.28 C ATOM 726 CG LEU A 47 -2.376 -5.633 -2.808 1.00 0.62 C ATOM 727 CD1 LEU A 47 -2.552 -6.027 -4.255 1.00 1.07 C ATOM 728 CD2 LEU A 47 -2.028 -6.861 -2.000 1.00 1.01 C ATOM 0 H LEU A 47 0.037 -5.544 -0.895 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.723 -2.893 -1.449 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.503 -3.773 -3.411 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.337 -4.993 -2.939 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.306 -5.214 -2.425 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.321 -6.796 -4.332 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -2.852 -5.155 -4.836 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -1.610 -6.415 -4.643 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -2.813 -7.608 -2.117 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.081 -7.272 -2.351 1.00 1.01 H new ATOM 0 HD23 LEU A 47 -1.938 -6.591 -0.948 1.00 1.01 H new ATOM 740 N ALA A 48 -3.017 -4.767 -0.023 1.00 0.18 N ATOM 741 CA ALA A 48 -4.254 -4.730 0.732 1.00 0.17 C ATOM 742 C ALA A 48 -4.064 -3.931 2.001 1.00 0.14 C ATOM 743 O ALA A 48 -4.901 -3.114 2.369 1.00 0.16 O ATOM 744 CB ALA A 48 -4.710 -6.142 1.067 1.00 0.19 C ATOM 0 H ALA A 48 -2.575 -5.686 -0.052 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.021 -4.250 0.124 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.640 -6.099 1.634 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -4.873 -6.700 0.145 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -3.945 -6.640 1.662 1.00 0.19 H new ATOM 750 N GLN A 49 -2.919 -4.146 2.630 1.00 0.13 N ATOM 751 CA GLN A 49 -2.631 -3.582 3.932 1.00 0.13 C ATOM 752 C GLN A 49 -2.661 -2.076 3.891 1.00 0.12 C ATOM 753 O GLN A 49 -3.250 -1.436 4.744 1.00 0.13 O ATOM 754 CB GLN A 49 -1.241 -4.005 4.397 1.00 0.15 C ATOM 755 CG GLN A 49 -0.852 -3.454 5.760 1.00 0.20 C ATOM 756 CD GLN A 49 -1.297 -4.340 6.913 1.00 0.33 C ATOM 757 OE1 GLN A 49 -0.630 -4.414 7.942 1.00 0.94 O ATOM 758 NE2 GLN A 49 -2.436 -4.998 6.764 1.00 1.35 N ATOM 0 H GLN A 49 -2.165 -4.717 2.249 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.395 -3.949 4.618 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.195 -5.094 4.430 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.507 -3.677 3.661 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.230 -3.333 5.800 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.289 -2.463 5.882 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -2.964 -4.913 5.896 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -2.785 -5.590 7.518 1.00 1.35 H new ATOM 767 N LEU A 50 -2.009 -1.529 2.894 1.00 0.12 N ATOM 768 CA LEU A 50 -1.876 -0.087 2.770 1.00 0.12 C ATOM 769 C LEU A 50 -3.253 0.595 2.663 1.00 0.12 C ATOM 770 O LEU A 50 -3.602 1.476 3.464 1.00 0.13 O ATOM 771 CB LEU A 50 -1.039 0.201 1.529 1.00 0.12 C ATOM 772 CG LEU A 50 0.398 -0.344 1.551 1.00 0.11 C ATOM 773 CD1 LEU A 50 1.048 -0.198 0.187 1.00 0.12 C ATOM 774 CD2 LEU A 50 1.218 0.365 2.601 1.00 0.13 C ATOM 0 H LEU A 50 -1.557 -2.060 2.149 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.390 0.315 3.659 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.552 -0.216 0.663 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -0.996 1.281 1.385 1.00 0.12 H new ATOM 0 HG LEU A 50 0.356 -1.404 1.801 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.064 -0.590 0.225 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.472 -0.754 -0.552 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.075 0.855 -0.092 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.232 -0.034 2.602 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.248 1.432 2.380 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.767 0.210 3.581 1.00 0.13 H new ATOM 786 N VAL A 51 -4.055 0.130 1.720 1.00 0.11 N ATOM 787 CA VAL A 51 -5.405 0.650 1.510 1.00 0.10 C ATOM 788 C VAL A 51 -6.293 0.377 2.728 1.00 0.10 C ATOM 789 O VAL A 51 -7.140 1.199 3.088 1.00 0.10 O ATOM 790 CB VAL A 51 -5.972 0.027 0.238 1.00 0.11 C ATOM 791 CG1 VAL A 51 -7.304 -0.639 0.473 1.00 0.21 C ATOM 792 CG2 VAL A 51 -6.087 1.083 -0.840 1.00 0.18 C ATOM 0 H VAL A 51 -3.794 -0.617 1.077 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.373 1.733 1.389 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.283 -0.752 -0.087 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.667 -1.067 -0.461 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.190 -1.430 1.214 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.020 0.098 0.836 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.492 0.634 -1.747 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.751 1.878 -0.501 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.101 1.498 -1.050 1.00 0.18 H new ATOM 802 N GLU A 52 -6.061 -0.765 3.370 1.00 0.11 N ATOM 803 CA GLU A 52 -6.798 -1.155 4.565 1.00 0.12 C ATOM 804 C GLU A 52 -6.408 -0.291 5.764 1.00 0.13 C ATOM 805 O GLU A 52 -7.264 0.267 6.454 1.00 0.16 O ATOM 806 CB GLU A 52 -6.533 -2.639 4.873 1.00 0.17 C ATOM 807 CG GLU A 52 -6.733 -3.023 6.332 1.00 0.50 C ATOM 808 CD GLU A 52 -6.633 -4.516 6.563 1.00 0.53 C ATOM 809 OE1 GLU A 52 -5.505 -5.050 6.516 1.00 0.74 O ATOM 810 OE2 GLU A 52 -7.678 -5.164 6.786 1.00 0.74 O ATOM 0 H GLU A 52 -5.358 -1.443 3.076 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.861 -1.005 4.378 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -7.192 -3.249 4.256 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.511 -2.881 4.583 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -5.987 -2.514 6.943 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.710 -2.673 6.665 1.00 0.50 H new ATOM 817 N GLU A 53 -5.108 -0.149 5.975 1.00 0.13 N ATOM 818 CA GLU A 53 -4.580 0.508 7.160 1.00 0.15 C ATOM 819 C GLU A 53 -4.881 1.996 7.147 1.00 0.16 C ATOM 820 O GLU A 53 -5.007 2.615 8.203 1.00 0.19 O ATOM 821 CB GLU A 53 -3.068 0.295 7.248 1.00 0.19 C ATOM 822 CG GLU A 53 -2.390 1.119 8.330 1.00 0.24 C ATOM 823 CD GLU A 53 -2.246 0.371 9.636 1.00 0.84 C ATOM 824 OE1 GLU A 53 -3.212 0.364 10.430 1.00 1.32 O ATOM 825 OE2 GLU A 53 -1.169 -0.212 9.874 1.00 1.51 O ATOM 0 H GLU A 53 -4.392 -0.485 5.331 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.065 0.066 8.030 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -2.870 -0.761 7.432 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.620 0.540 6.285 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -1.404 1.425 7.982 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -2.965 2.029 8.500 1.00 0.24 H new ATOM 832 N ALA A 54 -5.041 2.559 5.953 1.00 0.16 N ATOM 833 CA ALA A 54 -5.157 4.005 5.819 1.00 0.18 C ATOM 834 C ALA A 54 -6.280 4.582 6.679 1.00 0.21 C ATOM 835 O ALA A 54 -6.057 5.531 7.426 1.00 0.30 O ATOM 836 CB ALA A 54 -5.374 4.375 4.365 1.00 0.24 C ATOM 0 H ALA A 54 -5.093 2.042 5.075 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.223 4.439 6.175 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.460 5.458 4.274 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.529 4.027 3.771 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.289 3.907 4.003 1.00 0.24 H new ATOM 842 N THR A 55 -7.477 4.024 6.592 1.00 0.25 N ATOM 843 CA THR A 55 -8.568 4.501 7.435 1.00 0.33 C ATOM 844 C THR A 55 -9.016 3.419 8.421 1.00 0.29 C ATOM 845 O THR A 55 -9.963 3.606 9.185 1.00 0.39 O ATOM 846 CB THR A 55 -9.757 4.986 6.583 1.00 0.51 C ATOM 847 OG1 THR A 55 -9.260 5.769 5.488 1.00 1.14 O ATOM 848 CG2 THR A 55 -10.716 5.838 7.404 1.00 1.66 C ATOM 0 H THR A 55 -7.718 3.258 5.963 1.00 0.25 H new ATOM 0 HA THR A 55 -8.195 5.349 8.009 1.00 0.33 H new ATOM 0 HB THR A 55 -10.297 4.112 6.219 1.00 0.51 H new ATOM 0 HG1 THR A 55 -8.774 6.546 5.835 1.00 1.14 H new ATOM 0 HG21 THR A 55 -11.543 6.164 6.774 1.00 1.66 H new ATOM 0 HG22 THR A 55 -11.103 5.250 8.236 1.00 1.66 H new ATOM 0 HG23 THR A 55 -10.188 6.710 7.790 1.00 1.66 H new ATOM 856 N GLY A 56 -8.321 2.288 8.415 1.00 0.25 N ATOM 857 CA GLY A 56 -8.695 1.195 9.293 1.00 0.26 C ATOM 858 C GLY A 56 -9.797 0.345 8.699 1.00 0.29 C ATOM 859 O GLY A 56 -10.498 -0.371 9.413 1.00 0.34 O ATOM 0 H GLY A 56 -7.511 2.108 7.822 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.822 0.572 9.489 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -9.023 1.596 10.252 1.00 0.26 H new ATOM 863 N VAL A 57 -9.954 0.439 7.389 1.00 0.30 N ATOM 864 CA VAL A 57 -11.000 -0.280 6.685 1.00 0.36 C ATOM 865 C VAL A 57 -10.573 -1.717 6.399 1.00 0.29 C ATOM 866 O VAL A 57 -9.502 -1.958 5.853 1.00 0.26 O ATOM 867 CB VAL A 57 -11.377 0.436 5.367 1.00 0.50 C ATOM 868 CG1 VAL A 57 -10.150 0.704 4.506 1.00 1.62 C ATOM 869 CG2 VAL A 57 -12.402 -0.373 4.593 1.00 1.33 C ATOM 0 H VAL A 57 -9.363 1.013 6.787 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.879 -0.299 7.329 1.00 0.36 H new ATOM 0 HB VAL A 57 -11.816 1.399 5.629 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -10.453 1.208 3.588 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -9.452 1.337 5.054 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -9.666 -0.241 4.258 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -12.654 0.148 3.669 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -11.988 -1.353 4.356 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -13.301 -0.495 5.197 1.00 1.33 H new ATOM 879 N PRO A 58 -11.402 -2.692 6.786 1.00 0.32 N ATOM 880 CA PRO A 58 -11.114 -4.113 6.576 1.00 0.34 C ATOM 881 C PRO A 58 -11.157 -4.531 5.113 1.00 0.31 C ATOM 882 O PRO A 58 -11.867 -3.910 4.312 1.00 0.27 O ATOM 883 CB PRO A 58 -12.229 -4.824 7.331 1.00 0.39 C ATOM 884 CG PRO A 58 -13.342 -3.838 7.339 1.00 0.39 C ATOM 885 CD PRO A 58 -12.687 -2.495 7.479 1.00 0.37 C ATOM 0 HA PRO A 58 -10.106 -4.353 6.915 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -12.520 -5.750 6.835 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -11.921 -5.087 8.343 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -13.925 -3.896 6.420 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.028 -4.028 8.164 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.279 -1.705 7.018 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -12.546 -2.219 8.524 1.00 0.37 H new ATOM 893 N LEU A 59 -10.440 -5.598 4.784 1.00 0.35 N ATOM 894 CA LEU A 59 -10.335 -6.095 3.408 1.00 0.36 C ATOM 895 C LEU A 59 -11.697 -6.162 2.682 1.00 0.36 C ATOM 896 O LEU A 59 -11.799 -5.682 1.551 1.00 0.37 O ATOM 897 CB LEU A 59 -9.639 -7.473 3.434 1.00 0.45 C ATOM 898 CG LEU A 59 -10.315 -8.630 2.674 1.00 1.21 C ATOM 899 CD1 LEU A 59 -10.132 -8.504 1.168 1.00 1.79 C ATOM 900 CD2 LEU A 59 -9.768 -9.964 3.158 1.00 2.08 C ATOM 0 H LEU A 59 -9.912 -6.148 5.461 1.00 0.35 H new ATOM 0 HA LEU A 59 -9.739 -5.387 2.833 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -8.634 -7.349 3.031 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -9.530 -7.774 4.476 1.00 0.45 H new ATOM 0 HG LEU A 59 -11.384 -8.580 2.881 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -10.624 -9.340 0.671 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -10.572 -7.568 0.825 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -9.069 -8.514 0.929 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -10.253 -10.775 2.614 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -8.693 -10.001 2.983 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -9.966 -10.073 4.224 1.00 2.08 H new ATOM 912 N PRO A 60 -12.781 -6.688 3.309 1.00 0.38 N ATOM 913 CA PRO A 60 -14.064 -6.865 2.615 1.00 0.41 C ATOM 914 C PRO A 60 -14.740 -5.542 2.257 1.00 0.38 C ATOM 915 O PRO A 60 -15.658 -5.511 1.436 1.00 0.46 O ATOM 916 CB PRO A 60 -14.927 -7.641 3.616 1.00 0.47 C ATOM 917 CG PRO A 60 -13.979 -8.141 4.646 1.00 0.52 C ATOM 918 CD PRO A 60 -12.878 -7.132 4.708 1.00 0.42 C ATOM 0 HA PRO A 60 -13.923 -7.377 1.663 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -15.688 -6.999 4.060 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -15.449 -8.465 3.129 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -14.471 -8.244 5.613 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -13.594 -9.125 4.378 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.118 -6.308 5.380 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -11.944 -7.570 5.061 1.00 0.42 H new ATOM 926 N PHE A 61 -14.288 -4.451 2.865 1.00 0.33 N ATOM 927 CA PHE A 61 -14.933 -3.155 2.680 1.00 0.34 C ATOM 928 C PHE A 61 -14.216 -2.282 1.658 1.00 0.28 C ATOM 929 O PHE A 61 -14.804 -1.346 1.113 1.00 0.31 O ATOM 930 CB PHE A 61 -15.010 -2.413 4.006 1.00 0.37 C ATOM 931 CG PHE A 61 -16.208 -2.785 4.836 1.00 0.44 C ATOM 932 CD1 PHE A 61 -16.213 -3.949 5.586 1.00 0.45 C ATOM 933 CD2 PHE A 61 -17.327 -1.969 4.869 1.00 0.66 C ATOM 934 CE1 PHE A 61 -17.311 -4.293 6.353 1.00 0.56 C ATOM 935 CE2 PHE A 61 -18.427 -2.306 5.633 1.00 0.77 C ATOM 936 CZ PHE A 61 -18.425 -3.477 6.365 1.00 0.68 C ATOM 0 H PHE A 61 -13.481 -4.437 3.488 1.00 0.33 H new ATOM 0 HA PHE A 61 -15.935 -3.356 2.300 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.105 -2.615 4.579 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -15.032 -1.341 3.812 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -15.349 -4.596 5.572 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -17.339 -1.058 4.290 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -17.297 -5.198 6.942 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -19.288 -1.654 5.658 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.293 -3.754 6.945 1.00 0.68 H new ATOM 946 N GLN A 62 -12.960 -2.585 1.382 1.00 0.22 N ATOM 947 CA GLN A 62 -12.218 -1.811 0.401 1.00 0.19 C ATOM 948 C GLN A 62 -12.079 -2.616 -0.877 1.00 0.19 C ATOM 949 O GLN A 62 -12.202 -3.840 -0.870 1.00 0.33 O ATOM 950 CB GLN A 62 -10.815 -1.424 0.897 1.00 0.19 C ATOM 951 CG GLN A 62 -9.804 -2.550 0.768 1.00 0.25 C ATOM 952 CD GLN A 62 -9.085 -2.874 2.057 1.00 0.40 C ATOM 953 OE1 GLN A 62 -7.951 -3.341 2.042 1.00 0.96 O ATOM 954 NE2 GLN A 62 -9.732 -2.631 3.174 1.00 0.29 N ATOM 0 H GLN A 62 -12.439 -3.348 1.814 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.777 -0.892 0.225 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.462 -0.561 0.332 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -10.877 -1.118 1.941 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.314 -3.445 0.413 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.068 -2.280 0.010 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -10.674 -2.242 3.143 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.292 -2.831 4.072 1.00 0.29 H new ATOM 963 N LYS A 63 -11.854 -1.924 -1.973 1.00 0.19 N ATOM 964 CA LYS A 63 -11.434 -2.571 -3.197 1.00 0.18 C ATOM 965 C LYS A 63 -10.212 -1.862 -3.732 1.00 0.13 C ATOM 966 O LYS A 63 -10.309 -0.920 -4.514 1.00 0.14 O ATOM 967 CB LYS A 63 -12.553 -2.604 -4.236 1.00 0.26 C ATOM 968 CG LYS A 63 -13.703 -3.510 -3.835 1.00 1.14 C ATOM 969 CD LYS A 63 -14.682 -3.734 -4.972 1.00 1.68 C ATOM 970 CE LYS A 63 -15.715 -4.783 -4.597 1.00 2.52 C ATOM 971 NZ LYS A 63 -16.634 -5.092 -5.721 1.00 3.15 N ATOM 0 H LYS A 63 -11.955 -0.911 -2.041 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.186 -3.610 -2.978 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -12.930 -1.593 -4.389 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.147 -2.941 -5.190 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -13.308 -4.470 -3.504 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -14.229 -3.072 -2.986 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -15.182 -2.797 -5.217 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -14.143 -4.051 -5.865 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -15.207 -5.695 -4.284 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -16.294 -4.431 -3.743 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -17.321 -5.812 -5.420 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -17.139 -4.228 -6.004 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -16.086 -5.453 -6.528 1.00 3.15 H new ATOM 985 N LEU A 64 -9.060 -2.331 -3.295 1.00 0.12 N ATOM 986 CA LEU A 64 -7.804 -1.688 -3.595 1.00 0.10 C ATOM 987 C LEU A 64 -7.366 -2.034 -4.997 1.00 0.12 C ATOM 988 O LEU A 64 -7.218 -3.208 -5.350 1.00 0.14 O ATOM 989 CB LEU A 64 -6.754 -2.102 -2.544 1.00 0.11 C ATOM 990 CG LEU A 64 -5.271 -1.797 -2.842 1.00 0.13 C ATOM 991 CD1 LEU A 64 -4.618 -2.904 -3.659 1.00 0.48 C ATOM 992 CD2 LEU A 64 -5.115 -0.475 -3.562 1.00 0.51 C ATOM 0 H LEU A 64 -8.972 -3.170 -2.721 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.919 -0.605 -3.550 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.013 -1.615 -1.604 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -6.848 -3.176 -2.383 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.766 -1.737 -1.878 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.575 -2.650 -3.847 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.669 -3.842 -3.107 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.142 -3.013 -4.609 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.059 -0.289 -3.757 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.658 -0.509 -4.506 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.516 0.327 -2.942 1.00 0.51 H new ATOM 1004 N ILE A 65 -7.225 -0.979 -5.783 1.00 0.12 N ATOM 1005 CA ILE A 65 -6.674 -1.037 -7.113 1.00 0.14 C ATOM 1006 C ILE A 65 -5.538 -0.030 -7.213 1.00 0.15 C ATOM 1007 O ILE A 65 -5.760 1.183 -7.131 1.00 0.16 O ATOM 1008 CB ILE A 65 -7.740 -0.610 -8.119 1.00 0.16 C ATOM 1009 CG1 ILE A 65 -9.037 -1.401 -7.913 1.00 0.17 C ATOM 1010 CG2 ILE A 65 -7.228 -0.764 -9.547 1.00 0.20 C ATOM 1011 CD1 ILE A 65 -10.174 -0.954 -8.806 1.00 1.20 C ATOM 0 H ILE A 65 -7.500 -0.038 -5.500 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.329 -2.051 -7.318 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.961 0.444 -7.951 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.840 -2.458 -8.094 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.347 -1.308 -6.872 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -8.004 -0.454 -10.247 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.344 -0.141 -9.686 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.969 -1.807 -9.730 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -11.057 -1.560 -8.602 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.400 0.094 -8.610 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.885 -1.074 -9.850 1.00 1.20 H new ATOM 1023 N PHE A 66 -4.328 -0.527 -7.281 1.00 0.17 N ATOM 1024 CA PHE A 66 -3.166 0.282 -7.580 1.00 0.18 C ATOM 1025 C PHE A 66 -1.981 -0.613 -7.854 1.00 0.20 C ATOM 1026 O PHE A 66 -1.988 -1.762 -7.414 1.00 0.20 O ATOM 1027 CB PHE A 66 -2.878 1.365 -6.564 1.00 0.19 C ATOM 1028 CG PHE A 66 -3.046 2.747 -7.159 1.00 0.23 C ATOM 1029 CD1 PHE A 66 -2.897 2.970 -8.518 1.00 0.45 C ATOM 1030 CD2 PHE A 66 -3.345 3.829 -6.344 1.00 0.25 C ATOM 1031 CE1 PHE A 66 -3.043 4.238 -9.051 1.00 0.51 C ATOM 1032 CE2 PHE A 66 -3.494 5.097 -6.870 1.00 0.28 C ATOM 1033 CZ PHE A 66 -3.365 5.277 -8.280 1.00 0.36 C ATOM 0 H PHE A 66 -4.117 -1.513 -7.129 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.389 0.848 -8.485 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.547 1.252 -5.711 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.861 1.251 -6.188 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -2.663 2.142 -9.171 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -3.463 3.677 -5.281 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -2.894 4.389 -10.110 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.704 5.938 -6.226 1.00 0.28 H new ATOM 0 HZ PHE A 66 -3.527 6.250 -8.720 1.00 0.36 H new ATOM 1043 N LYS A 67 -1.041 -0.149 -8.670 1.00 0.22 N ATOM 1044 CA LYS A 67 0.177 -0.902 -9.016 1.00 0.25 C ATOM 1045 C LYS A 67 -0.168 -2.154 -9.799 1.00 0.28 C ATOM 1046 O LYS A 67 0.526 -3.171 -9.717 1.00 0.32 O ATOM 1047 CB LYS A 67 1.089 -1.269 -7.790 1.00 0.25 C ATOM 1048 CG LYS A 67 0.463 -1.309 -6.377 1.00 0.18 C ATOM 1049 CD LYS A 67 1.467 -1.847 -5.352 1.00 0.21 C ATOM 1050 CE LYS A 67 0.858 -2.058 -3.968 1.00 0.18 C ATOM 1051 NZ LYS A 67 1.870 -1.911 -2.877 1.00 0.19 N ATOM 0 H LYS A 67 -1.095 0.766 -9.117 1.00 0.22 H new ATOM 0 HA LYS A 67 0.764 -0.223 -9.634 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.524 -2.249 -7.985 1.00 0.25 H new ATOM 0 HB3 LYS A 67 1.911 -0.554 -7.766 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.142 -0.308 -6.088 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.427 -1.939 -6.386 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.872 -2.793 -5.712 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.303 -1.152 -5.272 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.053 -1.339 -3.814 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.413 -3.051 -3.917 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.662 -2.590 -2.117 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.820 -2.097 -3.257 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 1.832 -0.944 -2.497 1.00 0.19 H new ATOM 1065 N GLY A 68 -1.238 -2.057 -10.585 1.00 0.31 N ATOM 1066 CA GLY A 68 -1.718 -3.189 -11.354 1.00 0.38 C ATOM 1067 C GLY A 68 -2.154 -4.312 -10.458 1.00 0.38 C ATOM 1068 O GLY A 68 -2.392 -5.436 -10.903 1.00 0.47 O ATOM 0 H GLY A 68 -1.785 -1.204 -10.702 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.553 -2.877 -11.982 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.930 -3.538 -12.021 1.00 0.38 H new ATOM 1072 N LYS A 69 -2.259 -3.991 -9.190 1.00 0.30 N ATOM 1073 CA LYS A 69 -2.614 -4.950 -8.182 1.00 0.33 C ATOM 1074 C LYS A 69 -3.949 -4.616 -7.562 1.00 0.24 C ATOM 1075 O LYS A 69 -4.312 -3.449 -7.404 1.00 0.23 O ATOM 1076 CB LYS A 69 -1.567 -4.980 -7.083 1.00 0.41 C ATOM 1077 CG LYS A 69 -0.229 -5.540 -7.499 1.00 0.62 C ATOM 1078 CD LYS A 69 0.578 -5.908 -6.273 1.00 0.58 C ATOM 1079 CE LYS A 69 1.902 -6.536 -6.640 1.00 0.44 C ATOM 1080 NZ LYS A 69 1.753 -7.644 -7.612 1.00 1.21 N ATOM 0 H LYS A 69 -2.099 -3.050 -8.831 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.673 -5.924 -8.667 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.421 -3.966 -6.712 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.950 -5.572 -6.252 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.372 -6.418 -8.128 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.313 -4.806 -8.095 1.00 0.62 H new ATOM 0 HD2 LYS A 69 0.753 -5.016 -5.672 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.006 -6.601 -5.656 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.558 -5.774 -7.060 1.00 0.44 H new ATOM 0 HE3 LYS A 69 2.386 -6.911 -5.738 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.446 -8.389 -7.398 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 0.792 -8.036 -7.547 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 1.916 -7.286 -8.575 1.00 1.21 H new ATOM 1094 N SER A 70 -4.675 -5.647 -7.222 1.00 0.23 N ATOM 1095 CA SER A 70 -5.894 -5.491 -6.477 1.00 0.21 C ATOM 1096 C SER A 70 -5.774 -6.262 -5.166 1.00 0.23 C ATOM 1097 O SER A 70 -5.210 -7.350 -5.135 1.00 0.31 O ATOM 1098 CB SER A 70 -7.088 -5.960 -7.301 1.00 0.24 C ATOM 1099 OG SER A 70 -8.303 -5.550 -6.695 1.00 1.27 O ATOM 0 H SER A 70 -4.440 -6.612 -7.452 1.00 0.23 H new ATOM 0 HA SER A 70 -6.058 -4.438 -6.249 1.00 0.21 H new ATOM 0 HB2 SER A 70 -7.023 -5.553 -8.310 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.069 -7.046 -7.393 1.00 0.24 H new ATOM 0 HG SER A 70 -8.145 -4.747 -6.155 1.00 1.27 H new ATOM 1105 N LEU A 71 -6.307 -5.696 -4.091 1.00 0.19 N ATOM 1106 CA LEU A 71 -6.005 -6.191 -2.739 1.00 0.21 C ATOM 1107 C LEU A 71 -6.571 -7.585 -2.450 1.00 0.26 C ATOM 1108 O LEU A 71 -7.676 -7.930 -2.870 1.00 0.32 O ATOM 1109 CB LEU A 71 -6.469 -5.169 -1.667 1.00 0.23 C ATOM 1110 CG LEU A 71 -7.970 -5.105 -1.297 1.00 0.31 C ATOM 1111 CD1 LEU A 71 -8.884 -5.266 -2.507 1.00 1.34 C ATOM 1112 CD2 LEU A 71 -8.307 -6.121 -0.222 1.00 1.21 C ATOM 0 H LEU A 71 -6.945 -4.901 -4.119 1.00 0.19 H new ATOM 0 HA LEU A 71 -4.921 -6.296 -2.690 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -5.912 -5.375 -0.753 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.170 -4.177 -2.006 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.152 -4.106 -0.901 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -9.925 -5.213 -2.187 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.684 -4.469 -3.223 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.698 -6.232 -2.977 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -9.368 -6.056 0.020 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -8.078 -7.123 -0.584 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -7.717 -5.915 0.671 1.00 1.21 H new ATOM 1124 N LYS A 72 -5.756 -8.371 -1.748 1.00 0.34 N ATOM 1125 CA LYS A 72 -6.138 -9.660 -1.178 1.00 0.46 C ATOM 1126 C LYS A 72 -5.068 -10.073 -0.177 1.00 0.66 C ATOM 1127 O LYS A 72 -4.063 -9.374 -0.040 1.00 1.33 O ATOM 1128 CB LYS A 72 -6.293 -10.755 -2.245 1.00 0.47 C ATOM 1129 CG LYS A 72 -7.695 -10.860 -2.829 1.00 0.87 C ATOM 1130 CD LYS A 72 -7.787 -11.957 -3.877 1.00 1.37 C ATOM 1131 CE LYS A 72 -9.112 -11.900 -4.616 1.00 2.01 C ATOM 1132 NZ LYS A 72 -9.170 -12.880 -5.731 1.00 2.72 N ATOM 0 H LYS A 72 -4.786 -8.121 -1.555 1.00 0.34 H new ATOM 0 HA LYS A 72 -7.110 -9.546 -0.697 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -5.588 -10.562 -3.053 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -6.021 -11.715 -1.807 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -8.408 -11.060 -2.029 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -7.976 -9.906 -3.275 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -6.967 -11.855 -4.587 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -7.676 -12.930 -3.399 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -9.925 -12.097 -3.918 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -9.265 -10.895 -5.009 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -10.091 -12.808 -6.209 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -8.410 -12.677 -6.411 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -9.050 -13.842 -5.354 1.00 2.72 H new ATOM 1146 N GLU A 73 -5.270 -11.185 0.517 1.00 0.69 N ATOM 1147 CA GLU A 73 -4.294 -11.643 1.502 1.00 0.83 C ATOM 1148 C GLU A 73 -2.982 -12.012 0.818 1.00 0.82 C ATOM 1149 O GLU A 73 -1.925 -11.467 1.130 1.00 1.56 O ATOM 1150 CB GLU A 73 -4.823 -12.846 2.289 1.00 1.03 C ATOM 1151 CG GLU A 73 -6.268 -12.704 2.742 1.00 1.62 C ATOM 1152 CD GLU A 73 -7.242 -13.326 1.762 1.00 1.93 C ATOM 1153 OE1 GLU A 73 -7.542 -12.683 0.734 1.00 2.84 O ATOM 1154 OE2 GLU A 73 -7.732 -14.446 2.024 1.00 1.93 O ATOM 0 H GLU A 73 -6.091 -11.782 0.420 1.00 0.69 H new ATOM 0 HA GLU A 73 -4.118 -10.825 2.200 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -4.733 -13.739 1.671 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -4.192 -13.000 3.165 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -6.388 -13.174 3.718 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -6.505 -11.647 2.866 1.00 1.62 H new ATOM 1161 N MET A 74 -3.056 -12.945 -0.118 1.00 0.58 N ATOM 1162 CA MET A 74 -1.887 -13.351 -0.883 1.00 0.54 C ATOM 1163 C MET A 74 -2.181 -13.208 -2.368 1.00 0.47 C ATOM 1164 O MET A 74 -2.509 -14.186 -3.041 1.00 0.61 O ATOM 1165 CB MET A 74 -1.489 -14.795 -0.560 1.00 0.62 C ATOM 1166 CG MET A 74 -1.251 -15.056 0.920 1.00 1.44 C ATOM 1167 SD MET A 74 -0.700 -16.742 1.250 1.00 1.93 S ATOM 1168 CE MET A 74 -0.550 -16.704 3.034 1.00 2.96 C ATOM 0 H MET A 74 -3.915 -13.436 -0.367 1.00 0.58 H new ATOM 0 HA MET A 74 -1.052 -12.706 -0.611 1.00 0.54 H new ATOM 0 HB2 MET A 74 -2.272 -15.465 -0.915 1.00 0.62 H new ATOM 0 HB3 MET A 74 -0.583 -15.043 -1.112 1.00 0.62 H new ATOM 0 HG2 MET A 74 -0.505 -14.355 1.293 1.00 1.44 H new ATOM 0 HG3 MET A 74 -2.172 -14.865 1.471 1.00 1.44 H new ATOM 0 HE1 MET A 74 -0.217 -17.678 3.392 1.00 2.96 H new ATOM 0 HE2 MET A 74 0.176 -15.944 3.322 1.00 2.96 H new ATOM 0 HE3 MET A 74 -1.518 -16.467 3.476 1.00 2.96 H new ATOM 1178 N GLU A 75 -2.076 -11.985 -2.867 1.00 0.35 N ATOM 1179 CA GLU A 75 -2.473 -11.683 -4.231 1.00 0.33 C ATOM 1180 C GLU A 75 -1.335 -11.933 -5.234 1.00 0.30 C ATOM 1181 O GLU A 75 -0.964 -13.079 -5.492 1.00 0.49 O ATOM 1182 CB GLU A 75 -2.983 -10.237 -4.296 1.00 0.38 C ATOM 1183 CG GLU A 75 -3.527 -9.808 -5.653 1.00 0.92 C ATOM 1184 CD GLU A 75 -4.637 -10.701 -6.171 1.00 1.67 C ATOM 1185 OE1 GLU A 75 -5.769 -10.603 -5.670 1.00 2.49 O ATOM 1186 OE2 GLU A 75 -4.390 -11.484 -7.110 1.00 2.03 O ATOM 0 H GLU A 75 -1.718 -11.185 -2.345 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.278 -12.359 -4.520 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -3.768 -10.110 -3.550 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.169 -9.567 -4.019 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -3.899 -8.786 -5.580 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -2.711 -9.800 -6.376 1.00 0.92 H new ATOM 1193 N THR A 76 -0.776 -10.863 -5.779 1.00 0.27 N ATOM 1194 CA THR A 76 0.175 -10.971 -6.876 1.00 0.26 C ATOM 1195 C THR A 76 1.616 -10.712 -6.421 1.00 0.17 C ATOM 1196 O THR A 76 1.831 -9.995 -5.447 1.00 0.18 O ATOM 1197 CB THR A 76 -0.210 -10.015 -8.020 1.00 0.40 C ATOM 1198 OG1 THR A 76 -0.681 -8.772 -7.479 1.00 0.49 O ATOM 1199 CG2 THR A 76 -1.282 -10.630 -8.908 1.00 0.69 C ATOM 0 H THR A 76 -0.965 -9.907 -5.479 1.00 0.27 H new ATOM 0 HA THR A 76 0.132 -11.997 -7.241 1.00 0.26 H new ATOM 0 HB THR A 76 0.677 -9.835 -8.628 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.336 -8.376 -8.091 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.535 -9.934 -9.708 1.00 0.69 H new ATOM 0 HG22 THR A 76 -0.908 -11.558 -9.340 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.171 -10.839 -8.313 1.00 0.69 H new ATOM 1207 N PRO A 77 2.605 -11.314 -7.125 1.00 0.19 N ATOM 1208 CA PRO A 77 4.036 -11.281 -6.783 1.00 0.18 C ATOM 1209 C PRO A 77 4.534 -10.052 -6.026 1.00 0.14 C ATOM 1210 O PRO A 77 4.236 -8.899 -6.362 1.00 0.16 O ATOM 1211 CB PRO A 77 4.688 -11.355 -8.144 1.00 0.30 C ATOM 1212 CG PRO A 77 3.805 -12.275 -8.916 1.00 0.36 C ATOM 1213 CD PRO A 77 2.405 -12.106 -8.356 1.00 0.28 C ATOM 0 HA PRO A 77 4.271 -12.084 -6.085 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.748 -10.372 -8.612 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.706 -11.739 -8.079 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.829 -12.033 -9.979 1.00 0.36 H new ATOM 0 HG3 PRO A 77 4.140 -13.307 -8.816 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.753 -11.590 -9.061 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.943 -13.069 -8.140 1.00 0.28 H new ATOM 1221 N LEU A 78 5.336 -10.361 -5.022 1.00 0.14 N ATOM 1222 CA LEU A 78 5.876 -9.403 -4.064 1.00 0.15 C ATOM 1223 C LEU A 78 6.875 -8.444 -4.700 1.00 0.16 C ATOM 1224 O LEU A 78 7.001 -7.298 -4.285 1.00 0.16 O ATOM 1225 CB LEU A 78 6.522 -10.156 -2.897 1.00 0.19 C ATOM 1226 CG LEU A 78 5.563 -11.041 -2.107 1.00 0.19 C ATOM 1227 CD1 LEU A 78 5.313 -12.363 -2.823 1.00 0.22 C ATOM 1228 CD2 LEU A 78 6.085 -11.294 -0.705 1.00 0.24 C ATOM 0 H LEU A 78 5.642 -11.317 -4.842 1.00 0.14 H new ATOM 0 HA LEU A 78 5.048 -8.795 -3.698 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.332 -10.774 -3.284 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.971 -9.431 -2.218 1.00 0.19 H new ATOM 0 HG LEU A 78 4.615 -10.509 -2.032 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.626 -12.971 -2.235 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.878 -12.169 -3.803 1.00 0.22 H new ATOM 0 HD13 LEU A 78 6.256 -12.896 -2.944 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.382 -11.927 -0.164 1.00 0.24 H new ATOM 0 HD22 LEU A 78 7.053 -11.792 -0.761 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.195 -10.345 -0.181 1.00 0.24 H new ATOM 1240 N SER A 79 7.601 -8.920 -5.693 1.00 0.18 N ATOM 1241 CA SER A 79 8.531 -8.073 -6.421 1.00 0.22 C ATOM 1242 C SER A 79 7.776 -6.900 -7.051 1.00 0.22 C ATOM 1243 O SER A 79 8.252 -5.766 -7.075 1.00 0.24 O ATOM 1244 CB SER A 79 9.250 -8.893 -7.497 1.00 0.27 C ATOM 1245 OG SER A 79 10.376 -8.203 -8.008 1.00 1.17 O ATOM 0 H SER A 79 7.566 -9.887 -6.015 1.00 0.18 H new ATOM 0 HA SER A 79 9.277 -7.678 -5.732 1.00 0.22 H new ATOM 0 HB2 SER A 79 9.566 -9.848 -7.078 1.00 0.27 H new ATOM 0 HB3 SER A 79 8.558 -9.115 -8.310 1.00 0.27 H new ATOM 0 HG SER A 79 11.080 -8.175 -7.326 1.00 1.17 H new ATOM 1251 N ALA A 80 6.583 -7.198 -7.544 1.00 0.20 N ATOM 1252 CA ALA A 80 5.705 -6.211 -8.156 1.00 0.22 C ATOM 1253 C ALA A 80 4.939 -5.399 -7.106 1.00 0.18 C ATOM 1254 O ALA A 80 4.131 -4.538 -7.451 1.00 0.19 O ATOM 1255 CB ALA A 80 4.739 -6.891 -9.113 1.00 0.27 C ATOM 0 H ALA A 80 6.193 -8.141 -7.530 1.00 0.20 H new ATOM 0 HA ALA A 80 6.329 -5.513 -8.714 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.087 -6.143 -9.565 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.301 -7.402 -9.895 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.135 -7.616 -8.567 1.00 0.27 H new ATOM 1261 N LEU A 81 5.177 -5.695 -5.829 1.00 0.14 N ATOM 1262 CA LEU A 81 4.336 -5.210 -4.734 1.00 0.13 C ATOM 1263 C LEU A 81 4.517 -3.713 -4.439 1.00 0.12 C ATOM 1264 O LEU A 81 4.125 -3.251 -3.373 1.00 0.11 O ATOM 1265 CB LEU A 81 4.581 -6.021 -3.454 1.00 0.13 C ATOM 1266 CG LEU A 81 3.322 -6.548 -2.748 1.00 0.15 C ATOM 1267 CD1 LEU A 81 2.262 -5.468 -2.612 1.00 0.16 C ATOM 1268 CD2 LEU A 81 2.759 -7.748 -3.489 1.00 0.19 C ATOM 0 H LEU A 81 5.957 -6.277 -5.524 1.00 0.14 H new ATOM 0 HA LEU A 81 3.308 -5.348 -5.069 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.219 -6.870 -3.700 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.135 -5.398 -2.752 1.00 0.13 H new ATOM 0 HG LEU A 81 3.613 -6.856 -1.744 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.387 -5.878 -2.108 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.661 -4.638 -2.029 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.977 -5.112 -3.602 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.868 -8.108 -2.975 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.498 -7.458 -4.507 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.506 -8.541 -3.518 1.00 0.19 H new ATOM 1280 N GLY A 82 5.067 -2.931 -5.362 1.00 0.12 N ATOM 1281 CA GLY A 82 5.271 -1.531 -5.043 1.00 0.12 C ATOM 1282 C GLY A 82 6.696 -1.183 -4.706 1.00 0.11 C ATOM 1283 O GLY A 82 6.918 -0.402 -3.783 1.00 0.12 O ATOM 0 H GLY A 82 5.365 -3.226 -6.292 1.00 0.12 H new ATOM 0 HA2 GLY A 82 4.950 -0.925 -5.890 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.633 -1.264 -4.200 1.00 0.12 H new ATOM 1287 N MET A 83 7.677 -1.779 -5.402 1.00 0.13 N ATOM 1288 CA MET A 83 9.065 -1.445 -5.100 1.00 0.15 C ATOM 1289 C MET A 83 9.379 -0.015 -5.556 1.00 0.15 C ATOM 1290 O MET A 83 9.904 0.249 -6.637 1.00 0.19 O ATOM 1291 CB MET A 83 10.022 -2.452 -5.762 1.00 0.20 C ATOM 1292 CG MET A 83 9.854 -2.597 -7.268 1.00 0.49 C ATOM 1293 SD MET A 83 11.010 -3.786 -7.987 1.00 0.97 S ATOM 1294 CE MET A 83 12.576 -3.052 -7.520 1.00 1.79 C ATOM 0 H MET A 83 7.540 -2.464 -6.145 1.00 0.13 H new ATOM 0 HA MET A 83 9.209 -1.502 -4.021 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.048 -2.149 -5.553 1.00 0.20 H new ATOM 0 HB3 MET A 83 9.877 -3.428 -5.299 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.833 -2.911 -7.487 1.00 0.49 H new ATOM 0 HG3 MET A 83 9.997 -1.625 -7.741 1.00 0.49 H new ATOM 0 HE1 MET A 83 13.360 -3.413 -8.186 1.00 1.79 H new ATOM 0 HE2 MET A 83 12.506 -1.967 -7.596 1.00 1.79 H new ATOM 0 HE3 MET A 83 12.816 -3.329 -6.493 1.00 1.79 H new ATOM 1304 N GLN A 84 9.015 0.880 -4.669 1.00 0.14 N ATOM 1305 CA GLN A 84 9.335 2.280 -4.653 1.00 0.15 C ATOM 1306 C GLN A 84 8.959 2.672 -3.257 1.00 0.16 C ATOM 1307 O GLN A 84 8.466 1.799 -2.552 1.00 0.16 O ATOM 1308 CB GLN A 84 8.555 3.065 -5.696 1.00 0.16 C ATOM 1309 CG GLN A 84 7.129 2.583 -5.884 1.00 0.61 C ATOM 1310 CD GLN A 84 6.392 3.344 -6.963 1.00 1.08 C ATOM 1311 OE1 GLN A 84 5.738 4.348 -6.691 1.00 1.79 O ATOM 1312 NE2 GLN A 84 6.489 2.871 -8.194 1.00 1.61 N ATOM 0 H GLN A 84 8.436 0.619 -3.871 1.00 0.14 H new ATOM 0 HA GLN A 84 10.376 2.488 -4.901 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.539 4.116 -5.409 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.078 3.003 -6.650 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.139 1.522 -6.136 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.589 2.682 -4.942 1.00 0.61 H new ATOM 0 HE21 GLN A 84 7.043 2.034 -8.377 1.00 1.61 H new ATOM 0 HE22 GLN A 84 6.010 3.343 -8.961 1.00 1.61 H new ATOM 1321 N ASN A 85 9.189 3.887 -2.793 1.00 0.17 N ATOM 1322 CA ASN A 85 8.584 4.228 -1.504 1.00 0.17 C ATOM 1323 C ASN A 85 7.101 3.925 -1.587 1.00 0.16 C ATOM 1324 O ASN A 85 6.385 4.621 -2.255 1.00 0.18 O ATOM 1325 CB ASN A 85 8.763 5.715 -1.126 1.00 0.19 C ATOM 1326 CG ASN A 85 8.288 6.707 -2.192 1.00 0.28 C ATOM 1327 OD1 ASN A 85 7.812 7.785 -1.866 1.00 1.22 O ATOM 1328 ND2 ASN A 85 8.417 6.366 -3.469 1.00 0.99 N ATOM 0 H ASN A 85 9.747 4.612 -3.244 1.00 0.17 H new ATOM 0 HA ASN A 85 9.084 3.638 -0.736 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.220 5.909 -0.201 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.818 5.900 -0.921 1.00 0.19 H new ATOM 0 HD21 ASN A 85 8.116 7.009 -4.201 1.00 0.99 H new ATOM 0 HD22 ASN A 85 8.817 5.461 -3.717 1.00 0.99 H new ATOM 1335 N GLY A 86 6.684 2.871 -0.897 1.00 0.15 N ATOM 1336 CA GLY A 86 5.286 2.477 -0.746 1.00 0.14 C ATOM 1337 C GLY A 86 4.471 2.265 -2.034 1.00 0.12 C ATOM 1338 O GLY A 86 3.554 1.444 -2.040 1.00 0.13 O ATOM 0 H GLY A 86 7.328 2.247 -0.411 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.256 1.551 -0.171 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.783 3.238 -0.150 1.00 0.14 H new ATOM 1342 N CYS A 87 4.829 2.955 -3.115 1.00 0.11 N ATOM 1343 CA CYS A 87 4.063 2.969 -4.357 1.00 0.12 C ATOM 1344 C CYS A 87 2.723 3.682 -4.163 1.00 0.12 C ATOM 1345 O CYS A 87 2.615 4.654 -3.409 1.00 0.17 O ATOM 1346 CB CYS A 87 3.837 1.549 -4.845 1.00 0.23 C ATOM 1347 SG CYS A 87 3.312 1.413 -6.571 1.00 0.94 S ATOM 0 H CYS A 87 5.672 3.528 -3.152 1.00 0.11 H new ATOM 0 HA CYS A 87 4.634 3.516 -5.107 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.760 0.984 -4.715 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.084 1.078 -4.213 1.00 0.23 H new ATOM 0 HG CYS A 87 4.184 0.715 -7.236 1.00 0.94 H new ATOM 1353 N ARG A 88 1.706 3.203 -4.855 1.00 0.12 N ATOM 1354 CA ARG A 88 0.374 3.758 -4.762 1.00 0.13 C ATOM 1355 C ARG A 88 -0.637 2.629 -4.572 1.00 0.12 C ATOM 1356 O ARG A 88 -0.425 1.527 -5.073 1.00 0.15 O ATOM 1357 CB ARG A 88 0.050 4.577 -6.021 1.00 0.19 C ATOM 1358 CG ARG A 88 0.439 3.893 -7.328 1.00 0.82 C ATOM 1359 CD ARG A 88 1.852 4.265 -7.774 1.00 0.41 C ATOM 1360 NE ARG A 88 1.907 5.587 -8.402 1.00 0.90 N ATOM 1361 CZ ARG A 88 3.031 6.171 -8.819 1.00 1.29 C ATOM 1362 NH1 ARG A 88 4.211 5.621 -8.562 1.00 1.26 N ATOM 1363 NH2 ARG A 88 2.977 7.325 -9.468 1.00 2.07 N ATOM 0 H ARG A 88 1.784 2.416 -5.499 1.00 0.12 H new ATOM 0 HA ARG A 88 0.319 4.426 -3.902 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -1.019 4.788 -6.038 1.00 0.19 H new ATOM 0 HB3 ARG A 88 0.563 5.536 -5.959 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.371 2.812 -7.205 1.00 0.82 H new ATOM 0 HG3 ARG A 88 -0.271 4.170 -8.107 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.519 4.247 -6.912 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.218 3.516 -8.476 1.00 0.41 H new ATOM 0 HE ARG A 88 1.030 6.093 -8.528 1.00 0.90 H new ATOM 0 HH11 ARG A 88 4.263 4.745 -8.042 1.00 1.26 H new ATOM 0 HH12 ARG A 88 5.066 6.074 -8.885 1.00 1.26 H new ATOM 0 HH21 ARG A 88 2.076 7.767 -9.649 1.00 2.07 H new ATOM 0 HH22 ARG A 88 3.837 7.772 -9.787 1.00 2.07 H new ATOM 1377 N VAL A 89 -1.701 2.899 -3.812 1.00 0.11 N ATOM 1378 CA VAL A 89 -2.797 1.948 -3.579 1.00 0.11 C ATOM 1379 C VAL A 89 -4.101 2.695 -3.331 1.00 0.11 C ATOM 1380 O VAL A 89 -4.249 3.391 -2.329 1.00 0.12 O ATOM 1381 CB VAL A 89 -2.538 1.009 -2.374 1.00 0.13 C ATOM 1382 CG1 VAL A 89 -1.494 -0.041 -2.701 1.00 0.20 C ATOM 1383 CG2 VAL A 89 -2.126 1.801 -1.149 1.00 0.18 C ATOM 0 H VAL A 89 -1.830 3.792 -3.335 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.862 1.336 -4.479 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.474 0.495 -2.156 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.338 -0.682 -1.833 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.836 -0.645 -3.541 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.556 0.448 -2.964 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.950 1.119 -0.317 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.212 2.354 -1.364 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.919 2.500 -0.884 1.00 0.18 H new ATOM 1393 N MET A 90 -5.044 2.596 -4.249 1.00 0.11 N ATOM 1394 CA MET A 90 -6.324 3.238 -4.013 1.00 0.12 C ATOM 1395 C MET A 90 -7.478 2.274 -4.067 1.00 0.12 C ATOM 1396 O MET A 90 -7.604 1.471 -4.982 1.00 0.13 O ATOM 1397 CB MET A 90 -6.550 4.446 -4.899 1.00 0.16 C ATOM 1398 CG MET A 90 -7.733 4.346 -5.849 1.00 0.68 C ATOM 1399 SD MET A 90 -7.942 5.835 -6.847 1.00 1.30 S ATOM 1400 CE MET A 90 -9.414 5.418 -7.780 1.00 1.92 C ATOM 0 H MET A 90 -4.956 2.097 -5.134 1.00 0.11 H new ATOM 0 HA MET A 90 -6.279 3.611 -2.990 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.689 5.321 -4.263 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.648 4.619 -5.486 1.00 0.16 H new ATOM 0 HG2 MET A 90 -7.596 3.488 -6.507 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.642 4.166 -5.275 1.00 0.68 H new ATOM 0 HE1 MET A 90 -9.549 6.138 -8.587 1.00 1.92 H new ATOM 0 HE2 MET A 90 -9.307 4.418 -8.200 1.00 1.92 H new ATOM 0 HE3 MET A 90 -10.282 5.444 -7.121 1.00 1.92 H new ATOM 1410 N LEU A 91 -8.309 2.360 -3.068 1.00 0.12 N ATOM 1411 CA LEU A 91 -9.432 1.469 -2.945 1.00 0.12 C ATOM 1412 C LEU A 91 -10.701 2.182 -3.327 1.00 0.14 C ATOM 1413 O LEU A 91 -10.974 3.292 -2.866 1.00 0.15 O ATOM 1414 CB LEU A 91 -9.532 0.843 -1.536 1.00 0.11 C ATOM 1415 CG LEU A 91 -9.763 1.760 -0.310 1.00 0.12 C ATOM 1416 CD1 LEU A 91 -8.951 3.039 -0.375 1.00 0.15 C ATOM 1417 CD2 LEU A 91 -11.244 2.063 -0.116 1.00 0.14 C ATOM 0 H LEU A 91 -8.230 3.046 -2.317 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.278 0.640 -3.635 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.344 0.116 -1.558 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.611 0.287 -1.359 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.410 1.206 0.560 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.152 3.643 0.510 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.889 2.794 -0.414 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.227 3.600 -1.268 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.373 2.709 0.753 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.632 2.565 -1.002 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.788 1.132 0.041 1.00 0.14 H new ATOM 1429 N ILE A 92 -11.460 1.562 -4.198 1.00 0.18 N ATOM 1430 CA ILE A 92 -12.729 2.114 -4.557 1.00 0.23 C ATOM 1431 C ILE A 92 -13.811 1.350 -3.834 1.00 0.23 C ATOM 1432 O ILE A 92 -14.057 0.173 -4.097 1.00 0.26 O ATOM 1433 CB ILE A 92 -12.980 2.072 -6.077 1.00 0.31 C ATOM 1434 CG1 ILE A 92 -11.813 2.724 -6.828 1.00 0.42 C ATOM 1435 CG2 ILE A 92 -14.291 2.774 -6.416 1.00 0.37 C ATOM 1436 CD1 ILE A 92 -11.965 2.702 -8.334 1.00 0.51 C ATOM 0 H ILE A 92 -11.219 0.686 -4.662 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.738 3.164 -4.265 1.00 0.23 H new ATOM 0 HB ILE A 92 -13.054 1.030 -6.390 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.713 3.758 -6.498 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.889 2.213 -6.558 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.456 2.737 -7.493 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.114 2.274 -5.906 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.241 3.814 -6.092 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -11.101 3.181 -8.794 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -12.033 1.670 -8.678 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.871 3.239 -8.616 1.00 0.51 H new ATOM 1448 N GLY A 93 -14.435 2.028 -2.909 1.00 0.24 N ATOM 1449 CA GLY A 93 -15.470 1.422 -2.120 1.00 0.28 C ATOM 1450 C GLY A 93 -15.717 2.208 -0.864 1.00 0.30 C ATOM 1451 O GLY A 93 -16.311 3.285 -0.904 1.00 0.45 O ATOM 0 H GLY A 93 -14.243 3.004 -2.684 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.389 1.362 -2.703 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.187 0.401 -1.865 1.00 0.28 H new ATOM 1455 N GLU A 94 -15.221 1.692 0.242 1.00 0.25 N ATOM 1456 CA GLU A 94 -15.421 2.319 1.529 1.00 0.26 C ATOM 1457 C GLU A 94 -14.130 2.316 2.333 1.00 0.24 C ATOM 1458 O GLU A 94 -13.374 1.350 2.298 1.00 0.35 O ATOM 1459 CB GLU A 94 -16.516 1.574 2.288 1.00 0.32 C ATOM 1460 CG GLU A 94 -17.881 1.677 1.631 1.00 0.98 C ATOM 1461 CD GLU A 94 -18.908 0.772 2.268 1.00 1.53 C ATOM 1462 OE1 GLU A 94 -18.896 -0.444 1.980 1.00 2.17 O ATOM 1463 OE2 GLU A 94 -19.719 1.266 3.079 1.00 2.02 O ATOM 0 H GLU A 94 -14.672 0.833 0.273 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.724 3.355 1.377 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -16.239 0.523 2.372 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.578 1.969 3.302 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -18.229 2.709 1.686 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -17.790 1.428 0.574 1.00 0.98 H new ATOM 1470 N LYS A 95 -13.871 3.413 3.022 1.00 0.25 N ATOM 1471 CA LYS A 95 -12.798 3.485 3.991 1.00 0.26 C ATOM 1472 C LYS A 95 -13.420 3.415 5.382 1.00 0.39 C ATOM 1473 O LYS A 95 -13.162 4.264 6.234 1.00 0.48 O ATOM 1474 CB LYS A 95 -12.011 4.790 3.830 1.00 0.28 C ATOM 1475 CG LYS A 95 -11.020 4.829 2.665 1.00 0.27 C ATOM 1476 CD LYS A 95 -9.748 4.052 2.933 1.00 0.55 C ATOM 1477 CE LYS A 95 -8.547 4.768 2.315 1.00 0.35 C ATOM 1478 NZ LYS A 95 -8.192 5.999 3.070 1.00 1.19 N ATOM 0 H LYS A 95 -14.401 4.279 2.923 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.103 2.659 3.841 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.721 5.608 3.706 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.465 4.979 4.754 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -11.502 4.427 1.774 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.765 5.866 2.449 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -9.601 3.942 4.007 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.834 3.047 2.519 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.691 4.093 2.296 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.771 5.028 1.280 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -7.211 6.268 2.853 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -8.832 6.771 2.795 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -8.284 5.819 4.090 1.00 1.19 H new ATOM 1492 N SER A 96 -14.273 2.416 5.575 1.00 0.46 N ATOM 1493 CA SER A 96 -15.057 2.274 6.793 1.00 0.65 C ATOM 1494 C SER A 96 -14.178 2.264 8.037 1.00 0.80 C ATOM 1495 O SER A 96 -13.275 1.439 8.173 1.00 0.99 O ATOM 1496 CB SER A 96 -15.877 0.990 6.721 1.00 0.74 C ATOM 1497 OG SER A 96 -16.572 0.914 5.489 1.00 1.30 O ATOM 0 H SER A 96 -14.440 1.680 4.889 1.00 0.46 H new ATOM 0 HA SER A 96 -15.720 3.136 6.870 1.00 0.65 H new ATOM 0 HB2 SER A 96 -15.221 0.126 6.829 1.00 0.74 H new ATOM 0 HB3 SER A 96 -16.586 0.958 7.548 1.00 0.74 H new ATOM 0 HG SER A 96 -17.125 0.105 5.474 1.00 1.30 H new ATOM 1503 N ASN A 97 -14.452 3.196 8.934 1.00 1.03 N ATOM 1504 CA ASN A 97 -13.735 3.287 10.192 1.00 1.27 C ATOM 1505 C ASN A 97 -14.586 2.722 11.325 1.00 1.85 C ATOM 1506 O ASN A 97 -15.450 3.450 11.853 1.00 2.21 O ATOM 1507 CB ASN A 97 -13.299 4.741 10.469 1.00 1.62 C ATOM 1508 CG ASN A 97 -14.337 5.794 10.081 1.00 1.97 C ATOM 1509 OD1 ASN A 97 -13.988 6.871 9.593 1.00 2.51 O ATOM 1510 ND2 ASN A 97 -15.608 5.517 10.317 1.00 2.63 N ATOM 1511 OXT ASN A 97 -14.415 1.532 11.651 1.00 2.58 O ATOM 0 H ASN A 97 -15.174 3.906 8.811 1.00 1.03 H new ATOM 0 HA ASN A 97 -12.828 2.687 10.127 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -13.073 4.844 11.530 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -12.375 4.941 9.926 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -16.329 6.203 10.094 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -15.867 4.617 10.722 1.00 2.63 H new TER 1518 ASN A 97