USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=27 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+ -167:sc= 2.4 (180deg=1.09) USER MOD Set 1.2: A 87 CYS SG : rot -33:sc= -3.5! USER MOD Set 2.1: A 39 ASN : amide:sc= -0.441 K(o=0.11,f=-4.2!) USER MOD Set 2.2: A 40 SER OG : rot 49:sc= 0.552 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= -2.07! USER MOD Set 3.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 3 LYS NZ :NH3+ 173:sc= 0.175 (180deg=-0.0202) USER MOD Set 4.2: A 85 ASN : amide:sc= -7.76! C(o=-7.6!,f=-13!) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0769 (180deg=-0.523) USER MOD Single : A 1 MET N :NH3+ -123:sc= -0.278 (180deg=-0.36) USER MOD Single : A 4 THR OG1 : rot -18:sc= 1.07 USER MOD Single : A 7 MET CE :methyl -157:sc= -0.204 (180deg=-0.911) USER MOD Single : A 9 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.79) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 135:sc= -1.03 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 24 HIS : no HE2:sc= 0.885 K(o=0.9,f=-6.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 60:sc= -0.254 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.87) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 49 GLN : amide:sc= -1.99! K(o=-2!,f=-0.23) USER MOD Single : A 55 THR OG1 : rot -73:sc= -0.243 USER MOD Single : A 62 GLN : amide:sc= -1.77 K(o=-1.8,f=-5.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= -2.69 (180deg=-2.78) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc=-0.00659 (180deg=-0.107) USER MOD Single : A 74 MET CE :methyl 156:sc= -0.268 (180deg=-1.08) USER MOD Single : A 76 THR OG1 : rot -137:sc= -2.45! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -165:sc= -0.13 (180deg=-0.742) USER MOD Single : A 84 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.5!) USER MOD Single : A 90 MET CE :methyl 152:sc= -0.265 (180deg=-0.824) USER MOD Single : A 95 LYS NZ :NH3+ -132:sc= -1.73! (180deg=-3.46!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.176 X(o=0.18,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.636 9.877 -13.693 1.00 4.19 N ATOM 2 CA MET A 1 5.347 9.909 -12.961 1.00 3.57 C ATOM 3 C MET A 1 5.561 10.264 -11.491 1.00 2.58 C ATOM 4 O MET A 1 4.940 9.667 -10.608 1.00 2.86 O ATOM 5 CB MET A 1 4.641 8.553 -13.075 1.00 4.32 C ATOM 6 CG MET A 1 4.278 8.175 -14.501 1.00 5.05 C ATOM 7 SD MET A 1 3.498 6.552 -14.621 1.00 6.03 S ATOM 8 CE MET A 1 1.996 6.822 -13.680 1.00 6.63 C ATOM 0 H1 MET A 1 6.597 10.539 -14.494 1.00 4.19 H new ATOM 0 H2 MET A 1 7.406 10.155 -13.052 1.00 4.19 H new ATOM 0 H3 MET A 1 6.810 8.915 -14.047 1.00 4.19 H new ATOM 0 HA MET A 1 4.720 10.678 -13.411 1.00 3.57 H new ATOM 0 HB2 MET A 1 5.286 7.781 -12.656 1.00 4.32 H new ATOM 0 HB3 MET A 1 3.734 8.573 -12.471 1.00 4.32 H new ATOM 0 HG2 MET A 1 3.604 8.927 -14.911 1.00 5.05 H new ATOM 0 HG3 MET A 1 5.179 8.186 -15.115 1.00 5.05 H new ATOM 0 HE1 MET A 1 1.271 6.044 -13.920 1.00 6.63 H new ATOM 0 HE2 MET A 1 2.223 6.790 -12.614 1.00 6.63 H new ATOM 0 HE3 MET A 1 1.579 7.797 -13.932 1.00 6.63 H new ATOM 20 N ALA A 2 6.436 11.247 -11.249 1.00 2.10 N ATOM 21 CA ALA A 2 6.764 11.726 -9.902 1.00 1.89 C ATOM 22 C ALA A 2 7.361 10.624 -9.024 1.00 1.69 C ATOM 23 O ALA A 2 8.582 10.513 -8.898 1.00 2.38 O ATOM 24 CB ALA A 2 5.543 12.350 -9.234 1.00 2.89 C ATOM 0 H ALA A 2 6.940 11.736 -11.989 1.00 2.10 H new ATOM 0 HA ALA A 2 7.528 12.495 -10.015 1.00 1.89 H new ATOM 0 HB1 ALA A 2 5.812 12.697 -8.236 1.00 2.89 H new ATOM 0 HB2 ALA A 2 5.193 13.193 -9.830 1.00 2.89 H new ATOM 0 HB3 ALA A 2 4.750 11.606 -9.158 1.00 2.89 H new ATOM 30 N LYS A 3 6.498 9.809 -8.435 1.00 1.22 N ATOM 31 CA LYS A 3 6.930 8.743 -7.545 1.00 0.97 C ATOM 32 C LYS A 3 7.472 7.555 -8.319 1.00 1.06 C ATOM 33 O LYS A 3 6.770 6.977 -9.153 1.00 1.96 O ATOM 34 CB LYS A 3 5.780 8.274 -6.657 1.00 0.75 C ATOM 35 CG LYS A 3 6.054 6.927 -6.000 1.00 0.46 C ATOM 36 CD LYS A 3 4.942 6.517 -5.056 1.00 0.42 C ATOM 37 CE LYS A 3 5.219 6.963 -3.633 1.00 0.29 C ATOM 38 NZ LYS A 3 5.531 8.415 -3.542 1.00 0.44 N ATOM 0 H LYS A 3 5.487 9.867 -8.559 1.00 1.22 H new ATOM 0 HA LYS A 3 7.727 9.153 -6.924 1.00 0.97 H new ATOM 0 HB2 LYS A 3 5.596 9.020 -5.884 1.00 0.75 H new ATOM 0 HB3 LYS A 3 4.871 8.204 -7.254 1.00 0.75 H new ATOM 0 HG2 LYS A 3 6.174 6.166 -6.771 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.995 6.976 -5.452 1.00 0.46 H new ATOM 0 HD2 LYS A 3 4.000 6.948 -5.395 1.00 0.42 H new ATOM 0 HD3 LYS A 3 4.825 5.434 -5.081 1.00 0.42 H new ATOM 0 HE2 LYS A 3 4.352 6.741 -3.011 1.00 0.29 H new ATOM 0 HE3 LYS A 3 6.054 6.389 -3.232 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 5.596 8.694 -2.542 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 6.438 8.605 -4.014 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 4.778 8.962 -4.006 1.00 0.44 H new ATOM 52 N THR A 4 8.709 7.195 -8.014 1.00 0.55 N ATOM 53 CA THR A 4 9.365 6.026 -8.597 1.00 0.59 C ATOM 54 C THR A 4 10.668 5.736 -7.859 1.00 0.59 C ATOM 55 O THR A 4 10.863 4.656 -7.300 1.00 0.84 O ATOM 56 CB THR A 4 9.702 6.215 -10.104 1.00 0.79 C ATOM 57 OG1 THR A 4 8.525 6.504 -10.867 1.00 1.37 O ATOM 58 CG2 THR A 4 10.369 4.970 -10.674 1.00 1.30 C ATOM 0 H THR A 4 9.293 7.706 -7.352 1.00 0.55 H new ATOM 0 HA THR A 4 8.661 5.199 -8.500 1.00 0.59 H new ATOM 0 HB THR A 4 10.389 7.058 -10.175 1.00 0.79 H new ATOM 0 HG1 THR A 4 7.731 6.251 -10.352 1.00 1.37 H new ATOM 0 HG21 THR A 4 10.594 5.128 -11.729 1.00 1.30 H new ATOM 0 HG22 THR A 4 11.293 4.772 -10.131 1.00 1.30 H new ATOM 0 HG23 THR A 4 9.697 4.118 -10.570 1.00 1.30 H new ATOM 66 N GLU A 5 11.540 6.727 -7.835 1.00 0.65 N ATOM 67 CA GLU A 5 12.912 6.529 -7.403 1.00 0.77 C ATOM 68 C GLU A 5 13.137 7.043 -5.977 1.00 0.71 C ATOM 69 O GLU A 5 14.270 7.292 -5.569 1.00 1.25 O ATOM 70 CB GLU A 5 13.835 7.243 -8.392 1.00 1.05 C ATOM 71 CG GLU A 5 15.265 6.736 -8.404 1.00 1.70 C ATOM 72 CD GLU A 5 16.116 7.487 -9.404 1.00 2.55 C ATOM 73 OE1 GLU A 5 16.592 8.589 -9.068 1.00 2.70 O ATOM 74 OE2 GLU A 5 16.296 6.994 -10.536 1.00 3.43 O ATOM 0 H GLU A 5 11.321 7.684 -8.112 1.00 0.65 H new ATOM 0 HA GLU A 5 13.133 5.462 -7.388 1.00 0.77 H new ATOM 0 HB2 GLU A 5 13.419 7.141 -9.394 1.00 1.05 H new ATOM 0 HB3 GLU A 5 13.843 8.307 -8.157 1.00 1.05 H new ATOM 0 HG2 GLU A 5 15.696 6.840 -7.408 1.00 1.70 H new ATOM 0 HG3 GLU A 5 15.272 5.673 -8.645 1.00 1.70 H new ATOM 81 N GLU A 6 12.055 7.205 -5.221 1.00 0.58 N ATOM 82 CA GLU A 6 12.159 7.634 -3.828 1.00 0.45 C ATOM 83 C GLU A 6 12.760 6.550 -2.947 1.00 0.38 C ATOM 84 O GLU A 6 13.961 6.525 -2.693 1.00 0.44 O ATOM 85 CB GLU A 6 10.797 7.969 -3.233 1.00 0.45 C ATOM 86 CG GLU A 6 10.167 9.265 -3.686 1.00 0.66 C ATOM 87 CD GLU A 6 9.259 9.084 -4.880 1.00 1.75 C ATOM 88 OE1 GLU A 6 9.792 8.860 -5.991 1.00 2.17 O ATOM 89 OE2 GLU A 6 8.020 9.176 -4.717 1.00 2.53 O ATOM 0 H GLU A 6 11.101 7.047 -5.546 1.00 0.58 H new ATOM 0 HA GLU A 6 12.798 8.517 -3.847 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.111 7.155 -3.469 1.00 0.45 H new ATOM 0 HB3 GLU A 6 10.896 7.998 -2.148 1.00 0.45 H new ATOM 0 HG2 GLU A 6 9.597 9.695 -2.862 1.00 0.66 H new ATOM 0 HG3 GLU A 6 10.952 9.978 -3.936 1.00 0.66 H new ATOM 96 N MET A 7 11.888 5.650 -2.499 1.00 0.32 N ATOM 97 CA MET A 7 12.218 4.686 -1.463 1.00 0.29 C ATOM 98 C MET A 7 12.760 5.379 -0.214 1.00 0.34 C ATOM 99 O MET A 7 13.818 5.021 0.295 1.00 0.70 O ATOM 100 CB MET A 7 13.194 3.622 -1.977 1.00 0.35 C ATOM 101 CG MET A 7 12.489 2.376 -2.478 1.00 0.30 C ATOM 102 SD MET A 7 13.591 1.230 -3.331 1.00 0.45 S ATOM 103 CE MET A 7 14.123 2.234 -4.717 1.00 1.60 C ATOM 0 H MET A 7 10.932 5.572 -2.847 1.00 0.32 H new ATOM 0 HA MET A 7 11.296 4.176 -1.185 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.794 4.044 -2.783 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.882 3.349 -1.177 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.026 1.864 -1.634 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.685 2.668 -3.154 1.00 0.30 H new ATOM 0 HE1 MET A 7 14.456 1.587 -5.529 1.00 1.60 H new ATOM 0 HE2 MET A 7 13.292 2.849 -5.061 1.00 1.60 H new ATOM 0 HE3 MET A 7 14.946 2.877 -4.406 1.00 1.60 H new ATOM 113 N VAL A 8 12.019 6.381 0.266 1.00 0.31 N ATOM 114 CA VAL A 8 12.387 7.087 1.491 1.00 0.30 C ATOM 115 C VAL A 8 11.307 8.113 1.902 1.00 0.31 C ATOM 116 O VAL A 8 11.414 9.307 1.629 1.00 0.46 O ATOM 117 CB VAL A 8 13.781 7.769 1.344 1.00 0.39 C ATOM 118 CG1 VAL A 8 13.835 8.680 0.121 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.166 8.538 2.601 1.00 1.12 C ATOM 0 H VAL A 8 11.164 6.719 -0.175 1.00 0.31 H new ATOM 0 HA VAL A 8 12.455 6.347 2.289 1.00 0.30 H new ATOM 0 HB VAL A 8 14.509 6.971 1.202 1.00 0.39 H new ATOM 0 HG11 VAL A 8 14.822 9.138 0.052 1.00 1.50 H new ATOM 0 HG12 VAL A 8 13.643 8.094 -0.778 1.00 1.50 H new ATOM 0 HG13 VAL A 8 13.079 9.460 0.215 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.143 8.999 2.460 1.00 1.12 H new ATOM 0 HG22 VAL A 8 13.424 9.312 2.795 1.00 1.12 H new ATOM 0 HG23 VAL A 8 14.207 7.853 3.448 1.00 1.12 H new ATOM 129 N GLN A 9 10.235 7.626 2.527 1.00 0.23 N ATOM 130 CA GLN A 9 9.256 8.509 3.151 1.00 0.24 C ATOM 131 C GLN A 9 8.938 8.074 4.588 1.00 0.26 C ATOM 132 O GLN A 9 9.311 8.760 5.535 1.00 0.38 O ATOM 133 CB GLN A 9 7.985 8.590 2.314 1.00 0.26 C ATOM 134 CG GLN A 9 8.031 9.663 1.237 1.00 0.31 C ATOM 135 CD GLN A 9 8.219 11.059 1.807 1.00 1.15 C ATOM 136 OE1 GLN A 9 7.802 11.349 2.931 1.00 1.97 O ATOM 137 NE2 GLN A 9 8.850 11.931 1.037 1.00 1.86 N ATOM 0 H GLN A 9 10.025 6.632 2.613 1.00 0.23 H new ATOM 0 HA GLN A 9 9.697 9.505 3.199 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.808 7.623 1.844 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.138 8.784 2.972 1.00 0.26 H new ATOM 0 HG2 GLN A 9 8.846 9.444 0.547 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.107 9.632 0.660 1.00 0.31 H new ATOM 0 HE21 GLN A 9 9.179 11.651 0.113 1.00 1.86 H new ATOM 0 HE22 GLN A 9 9.007 12.883 1.367 1.00 1.86 H new ATOM 146 N THR A 10 8.276 6.932 4.758 1.00 0.21 N ATOM 147 CA THR A 10 7.930 6.450 6.100 1.00 0.21 C ATOM 148 C THR A 10 8.796 5.253 6.504 1.00 0.21 C ATOM 149 O THR A 10 8.640 4.152 5.978 1.00 0.21 O ATOM 150 CB THR A 10 6.442 6.060 6.182 1.00 0.23 C ATOM 151 OG1 THR A 10 5.638 7.136 5.681 1.00 0.26 O ATOM 152 CG2 THR A 10 6.032 5.753 7.616 1.00 0.28 C ATOM 0 H THR A 10 7.970 6.327 3.996 1.00 0.21 H new ATOM 0 HA THR A 10 8.121 7.269 6.793 1.00 0.21 H new ATOM 0 HB THR A 10 6.290 5.164 5.580 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.691 6.888 5.731 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.977 5.481 7.642 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.630 4.925 7.996 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.195 6.633 8.238 1.00 0.28 H new ATOM 160 N GLU A 11 9.729 5.492 7.418 1.00 0.25 N ATOM 161 CA GLU A 11 10.640 4.454 7.898 1.00 0.28 C ATOM 162 C GLU A 11 10.001 3.604 9.002 1.00 0.25 C ATOM 163 O GLU A 11 9.095 4.056 9.706 1.00 0.40 O ATOM 164 CB GLU A 11 11.926 5.105 8.410 1.00 0.45 C ATOM 165 CG GLU A 11 13.070 4.134 8.648 1.00 0.47 C ATOM 166 CD GLU A 11 14.303 4.827 9.189 1.00 0.70 C ATOM 167 OE1 GLU A 11 14.406 4.997 10.424 1.00 1.50 O ATOM 168 OE2 GLU A 11 15.179 5.193 8.383 1.00 1.15 O ATOM 0 H GLU A 11 9.877 6.406 7.847 1.00 0.25 H new ATOM 0 HA GLU A 11 10.868 3.788 7.066 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.249 5.858 7.691 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.708 5.627 9.342 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.751 3.363 9.350 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.318 3.631 7.713 1.00 0.47 H new ATOM 175 N GLU A 12 10.487 2.370 9.126 1.00 0.31 N ATOM 176 CA GLU A 12 10.005 1.400 10.106 1.00 0.31 C ATOM 177 C GLU A 12 11.101 0.343 10.303 1.00 0.33 C ATOM 178 O GLU A 12 12.163 0.456 9.689 1.00 0.50 O ATOM 179 CB GLU A 12 8.692 0.766 9.610 1.00 0.38 C ATOM 180 CG GLU A 12 8.000 -0.173 10.588 1.00 0.56 C ATOM 181 CD GLU A 12 7.729 0.472 11.930 1.00 0.89 C ATOM 182 OE1 GLU A 12 6.663 1.106 12.082 1.00 1.56 O ATOM 183 OE2 GLU A 12 8.579 0.359 12.832 1.00 1.37 O ATOM 0 H GLU A 12 11.239 2.011 8.538 1.00 0.31 H new ATOM 0 HA GLU A 12 9.794 1.881 11.061 1.00 0.31 H new ATOM 0 HB2 GLU A 12 7.999 1.566 9.352 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.900 0.216 8.692 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.058 -0.510 10.156 1.00 0.56 H new ATOM 0 HG3 GLU A 12 8.619 -1.058 10.734 1.00 0.56 H new ATOM 190 N MET A 13 10.857 -0.671 11.131 1.00 0.38 N ATOM 191 CA MET A 13 11.897 -1.640 11.482 1.00 0.46 C ATOM 192 C MET A 13 12.502 -2.351 10.267 1.00 0.40 C ATOM 193 O MET A 13 13.719 -2.512 10.203 1.00 0.49 O ATOM 194 CB MET A 13 11.355 -2.683 12.451 1.00 0.61 C ATOM 195 CG MET A 13 10.972 -2.126 13.810 1.00 0.92 C ATOM 196 SD MET A 13 10.339 -3.397 14.922 1.00 1.76 S ATOM 197 CE MET A 13 10.165 -2.454 16.434 1.00 2.64 C ATOM 0 H MET A 13 9.953 -0.844 11.570 1.00 0.38 H new ATOM 0 HA MET A 13 12.693 -1.063 11.952 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.481 -3.158 12.005 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.106 -3.461 12.588 1.00 0.61 H new ATOM 0 HG2 MET A 13 11.842 -1.651 14.263 1.00 0.92 H new ATOM 0 HG3 MET A 13 10.217 -1.351 13.682 1.00 0.92 H new ATOM 0 HE1 MET A 13 9.781 -3.100 17.224 1.00 2.64 H new ATOM 0 HE2 MET A 13 11.136 -2.058 16.729 1.00 2.64 H new ATOM 0 HE3 MET A 13 9.471 -1.629 16.271 1.00 2.64 H new ATOM 207 N GLU A 14 11.688 -2.771 9.294 1.00 0.30 N ATOM 208 CA GLU A 14 12.261 -3.376 8.094 1.00 0.28 C ATOM 209 C GLU A 14 12.158 -2.460 6.887 1.00 0.31 C ATOM 210 O GLU A 14 12.954 -2.570 5.973 1.00 0.61 O ATOM 211 CB GLU A 14 11.565 -4.699 7.755 1.00 0.33 C ATOM 212 CG GLU A 14 12.195 -5.441 6.582 1.00 0.45 C ATOM 213 CD GLU A 14 13.684 -5.645 6.747 1.00 0.86 C ATOM 214 OE1 GLU A 14 14.121 -5.983 7.864 1.00 1.33 O ATOM 215 OE2 GLU A 14 14.420 -5.488 5.748 1.00 1.19 O ATOM 0 H GLU A 14 10.670 -2.707 9.311 1.00 0.30 H new ATOM 0 HA GLU A 14 13.313 -3.553 8.318 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.583 -5.344 8.633 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.518 -4.500 7.527 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.711 -6.411 6.470 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.009 -4.884 5.664 1.00 0.45 H new ATOM 222 N THR A 15 11.234 -1.514 6.912 1.00 0.20 N ATOM 223 CA THR A 15 10.922 -0.736 5.715 1.00 0.18 C ATOM 224 C THR A 15 12.081 0.167 5.349 1.00 0.21 C ATOM 225 O THR A 15 12.776 0.684 6.228 1.00 0.30 O ATOM 226 CB THR A 15 9.645 0.105 5.895 1.00 0.23 C ATOM 227 OG1 THR A 15 9.890 1.198 6.776 1.00 1.04 O ATOM 228 CG2 THR A 15 8.527 -0.755 6.453 1.00 0.90 C ATOM 0 H THR A 15 10.689 -1.264 7.737 1.00 0.20 H new ATOM 0 HA THR A 15 10.748 -1.446 4.907 1.00 0.18 H new ATOM 0 HB THR A 15 9.349 0.493 4.921 1.00 0.23 H new ATOM 0 HG1 THR A 15 9.494 2.013 6.404 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.629 -0.150 6.576 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.320 -1.575 5.765 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.827 -1.160 7.420 1.00 0.90 H new ATOM 236 N PRO A 16 12.308 0.381 4.045 1.00 0.21 N ATOM 237 CA PRO A 16 13.394 1.207 3.580 1.00 0.24 C ATOM 238 C PRO A 16 12.928 2.642 3.542 1.00 0.21 C ATOM 239 O PRO A 16 13.280 3.418 2.655 1.00 0.22 O ATOM 240 CB PRO A 16 13.677 0.655 2.187 1.00 0.28 C ATOM 241 CG PRO A 16 12.391 0.057 1.717 1.00 0.26 C ATOM 242 CD PRO A 16 11.477 -0.087 2.918 1.00 0.19 C ATOM 0 HA PRO A 16 14.286 1.191 4.207 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.010 1.445 1.514 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.469 -0.094 2.216 1.00 0.28 H new ATOM 0 HG2 PRO A 16 11.929 0.691 0.960 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.568 -0.914 1.254 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.574 0.514 2.809 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.158 -1.120 3.057 1.00 0.19 H new ATOM 250 N ARG A 17 12.112 2.958 4.544 1.00 0.21 N ATOM 251 CA ARG A 17 11.394 4.203 4.614 1.00 0.21 C ATOM 252 C ARG A 17 10.467 4.312 3.408 1.00 0.19 C ATOM 253 O ARG A 17 10.668 5.118 2.521 1.00 0.28 O ATOM 254 CB ARG A 17 12.374 5.377 4.692 1.00 0.26 C ATOM 255 CG ARG A 17 11.736 6.652 5.195 1.00 0.39 C ATOM 256 CD ARG A 17 12.767 7.708 5.520 1.00 0.37 C ATOM 257 NE ARG A 17 12.147 8.959 5.944 1.00 1.13 N ATOM 258 CZ ARG A 17 12.835 10.027 6.335 1.00 1.48 C ATOM 259 NH1 ARG A 17 14.157 9.972 6.412 1.00 1.46 N ATOM 260 NH2 ARG A 17 12.204 11.139 6.673 1.00 2.42 N ATOM 0 H ARG A 17 11.936 2.340 5.336 1.00 0.21 H new ATOM 0 HA ARG A 17 10.785 4.234 5.518 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.201 5.108 5.349 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.797 5.555 3.703 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.048 7.036 4.441 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.145 6.436 6.085 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.425 7.343 6.309 1.00 0.37 H new ATOM 0 HD3 ARG A 17 13.390 7.890 4.644 1.00 0.37 H new ATOM 0 HE ARG A 17 11.129 9.017 5.940 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.646 9.110 6.171 1.00 1.46 H new ATOM 0 HH12 ARG A 17 14.685 10.792 6.712 1.00 1.46 H new ATOM 0 HH21 ARG A 17 11.186 11.179 6.634 1.00 2.42 H new ATOM 0 HH22 ARG A 17 12.736 11.956 6.972 1.00 2.42 H new ATOM 274 N LEU A 18 9.455 3.468 3.363 1.00 0.16 N ATOM 275 CA LEU A 18 8.558 3.444 2.219 1.00 0.14 C ATOM 276 C LEU A 18 7.131 3.831 2.582 1.00 0.13 C ATOM 277 O LEU A 18 6.489 3.189 3.414 1.00 0.15 O ATOM 278 CB LEU A 18 8.563 2.073 1.577 1.00 0.19 C ATOM 279 CG LEU A 18 9.430 1.934 0.325 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.811 2.507 0.554 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.512 0.476 -0.107 1.00 0.27 C ATOM 0 H LEU A 18 9.232 2.795 4.096 1.00 0.16 H new ATOM 0 HA LEU A 18 8.930 4.188 1.514 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.903 1.347 2.315 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.538 1.809 1.319 1.00 0.19 H new ATOM 0 HG LEU A 18 8.962 2.504 -0.478 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.406 2.395 -0.352 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.729 3.564 0.806 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.294 1.975 1.374 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.133 0.395 -0.999 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.951 -0.117 0.695 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.511 0.105 -0.327 1.00 0.27 H new ATOM 293 N SER A 19 6.641 4.871 1.917 1.00 0.16 N ATOM 294 CA SER A 19 5.308 5.383 2.153 1.00 0.16 C ATOM 295 C SER A 19 4.491 5.395 0.869 1.00 0.14 C ATOM 296 O SER A 19 4.906 5.952 -0.143 1.00 0.18 O ATOM 297 CB SER A 19 5.408 6.785 2.711 1.00 0.23 C ATOM 298 OG SER A 19 4.135 7.383 2.864 1.00 0.67 O ATOM 0 H SER A 19 7.161 5.378 1.201 1.00 0.16 H new ATOM 0 HA SER A 19 4.804 4.732 2.867 1.00 0.16 H new ATOM 0 HB2 SER A 19 5.914 6.757 3.676 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.020 7.397 2.048 1.00 0.23 H new ATOM 0 HG SER A 19 4.240 8.287 3.228 1.00 0.67 H new ATOM 304 N VAL A 20 3.322 4.806 0.952 1.00 0.14 N ATOM 305 CA VAL A 20 2.430 4.632 -0.176 1.00 0.14 C ATOM 306 C VAL A 20 1.288 5.634 -0.119 1.00 0.13 C ATOM 307 O VAL A 20 0.916 6.119 0.956 1.00 0.14 O ATOM 308 CB VAL A 20 1.830 3.207 -0.186 1.00 0.19 C ATOM 309 CG1 VAL A 20 0.998 2.983 1.044 1.00 0.89 C ATOM 310 CG2 VAL A 20 0.983 2.956 -1.416 1.00 0.85 C ATOM 0 H VAL A 20 2.954 4.425 1.824 1.00 0.14 H new ATOM 0 HA VAL A 20 3.015 4.791 -1.082 1.00 0.14 H new ATOM 0 HB VAL A 20 2.666 2.508 -0.201 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.582 1.976 1.023 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.621 3.100 1.931 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.187 3.710 1.072 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.582 1.943 -1.381 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.161 3.671 -1.444 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.596 3.073 -2.310 1.00 0.85 H new ATOM 320 N ILE A 21 0.737 5.924 -1.280 1.00 0.16 N ATOM 321 CA ILE A 21 -0.401 6.802 -1.390 1.00 0.18 C ATOM 322 C ILE A 21 -1.655 5.962 -1.387 1.00 0.16 C ATOM 323 O ILE A 21 -1.920 5.216 -2.329 1.00 0.20 O ATOM 324 CB ILE A 21 -0.317 7.581 -2.713 1.00 0.28 C ATOM 325 CG1 ILE A 21 1.142 7.967 -2.980 1.00 0.23 C ATOM 326 CG2 ILE A 21 -1.214 8.812 -2.674 1.00 0.50 C ATOM 327 CD1 ILE A 21 1.374 8.609 -4.330 1.00 0.73 C ATOM 0 H ILE A 21 1.068 5.556 -2.172 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.415 7.504 -0.556 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.670 6.948 -3.527 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.473 8.654 -2.201 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.763 7.074 -2.903 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -1.138 9.347 -3.620 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.247 8.504 -2.513 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.899 9.466 -1.861 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.431 8.852 -4.441 1.00 0.73 H new ATOM 0 HD12 ILE A 21 1.076 7.917 -5.118 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.782 9.521 -4.406 1.00 0.73 H new ATOM 339 N VAL A 22 -2.421 6.091 -0.319 1.00 0.14 N ATOM 340 CA VAL A 22 -3.680 5.393 -0.196 1.00 0.13 C ATOM 341 C VAL A 22 -4.807 6.379 -0.351 1.00 0.13 C ATOM 342 O VAL A 22 -4.971 7.283 0.469 1.00 0.20 O ATOM 343 CB VAL A 22 -3.822 4.682 1.160 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.068 3.818 1.175 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.590 3.854 1.458 1.00 0.20 C ATOM 0 H VAL A 22 -2.187 6.679 0.481 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.714 4.633 -0.976 1.00 0.13 H new ATOM 0 HB VAL A 22 -3.919 5.438 1.940 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.155 3.321 2.141 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.946 4.442 1.008 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -5.001 3.068 0.387 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.709 3.358 2.422 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.458 3.104 0.678 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.715 4.503 1.489 1.00 0.20 H new ATOM 355 N THR A 23 -5.587 6.202 -1.385 1.00 0.15 N ATOM 356 CA THR A 23 -6.592 7.170 -1.732 1.00 0.18 C ATOM 357 C THR A 23 -7.962 6.513 -1.944 1.00 0.15 C ATOM 358 O THR A 23 -8.061 5.376 -2.400 1.00 0.16 O ATOM 359 CB THR A 23 -6.127 7.961 -2.980 1.00 0.33 C ATOM 360 OG1 THR A 23 -5.098 8.890 -2.610 1.00 1.21 O ATOM 361 CG2 THR A 23 -7.269 8.706 -3.658 1.00 0.87 C ATOM 0 H THR A 23 -5.544 5.392 -2.004 1.00 0.15 H new ATOM 0 HA THR A 23 -6.717 7.867 -0.903 1.00 0.18 H new ATOM 0 HB THR A 23 -5.741 7.236 -3.696 1.00 0.33 H new ATOM 0 HG1 THR A 23 -4.806 9.387 -3.402 1.00 1.21 H new ATOM 0 HG21 THR A 23 -6.888 9.243 -4.526 1.00 0.87 H new ATOM 0 HG22 THR A 23 -8.030 7.993 -3.977 1.00 0.87 H new ATOM 0 HG23 THR A 23 -7.708 9.415 -2.956 1.00 0.87 H new ATOM 369 N HIS A 24 -8.998 7.219 -1.519 1.00 0.20 N ATOM 370 CA HIS A 24 -10.380 6.827 -1.758 1.00 0.24 C ATOM 371 C HIS A 24 -11.157 8.083 -2.119 1.00 0.34 C ATOM 372 O HIS A 24 -11.377 8.932 -1.258 1.00 0.38 O ATOM 373 CB HIS A 24 -10.946 6.168 -0.486 1.00 0.31 C ATOM 374 CG HIS A 24 -12.442 6.226 -0.332 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.057 6.919 0.693 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.440 5.668 -1.057 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.365 6.783 0.590 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.623 6.029 -0.461 1.00 0.96 N ATOM 0 H HIS A 24 -8.903 8.088 -0.994 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.456 6.105 -2.571 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.638 5.123 -0.473 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.491 6.645 0.382 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -12.575 7.452 1.416 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -13.327 5.054 -1.938 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.100 7.215 1.253 1.00 1.08 H new ATOM 387 N SER A 25 -11.542 8.199 -3.389 1.00 0.41 N ATOM 388 CA SER A 25 -12.228 9.387 -3.919 1.00 0.55 C ATOM 389 C SER A 25 -11.274 10.596 -3.983 1.00 0.60 C ATOM 390 O SER A 25 -11.253 11.336 -4.971 1.00 0.99 O ATOM 391 CB SER A 25 -13.472 9.715 -3.077 1.00 0.63 C ATOM 392 OG SER A 25 -14.225 10.772 -3.645 1.00 1.17 O ATOM 0 H SER A 25 -11.388 7.471 -4.086 1.00 0.41 H new ATOM 0 HA SER A 25 -12.552 9.164 -4.936 1.00 0.55 H new ATOM 0 HB2 SER A 25 -14.098 8.827 -2.992 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.166 9.988 -2.067 1.00 0.63 H new ATOM 0 HG SER A 25 -15.009 10.953 -3.085 1.00 1.17 H new ATOM 398 N ASN A 26 -10.478 10.754 -2.930 1.00 0.44 N ATOM 399 CA ASN A 26 -9.530 11.856 -2.776 1.00 0.50 C ATOM 400 C ASN A 26 -8.847 11.706 -1.424 1.00 0.43 C ATOM 401 O ASN A 26 -7.667 12.023 -1.262 1.00 0.47 O ATOM 402 CB ASN A 26 -10.236 13.217 -2.847 1.00 0.65 C ATOM 403 CG ASN A 26 -9.268 14.381 -2.730 1.00 1.42 C ATOM 404 OD1 ASN A 26 -8.960 14.846 -1.631 1.00 2.19 O ATOM 405 ND2 ASN A 26 -8.784 14.858 -3.863 1.00 2.02 N ATOM 0 H ASN A 26 -10.473 10.106 -2.142 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.803 11.818 -3.587 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.778 13.293 -3.790 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.975 13.281 -2.048 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -8.129 15.640 -3.849 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -9.065 14.444 -4.752 1.00 2.02 H new ATOM 412 N GLU A 27 -9.635 11.213 -0.469 1.00 0.41 N ATOM 413 CA GLU A 27 -9.189 10.893 0.886 1.00 0.42 C ATOM 414 C GLU A 27 -7.861 10.129 0.870 1.00 0.37 C ATOM 415 O GLU A 27 -7.792 8.968 0.452 1.00 0.49 O ATOM 416 CB GLU A 27 -10.290 10.073 1.548 1.00 0.50 C ATOM 417 CG GLU A 27 -9.997 9.597 2.953 1.00 0.58 C ATOM 418 CD GLU A 27 -11.149 8.784 3.495 1.00 1.21 C ATOM 419 OE1 GLU A 27 -11.771 8.042 2.704 1.00 1.58 O ATOM 420 OE2 GLU A 27 -11.456 8.899 4.697 1.00 1.75 O ATOM 0 H GLU A 27 -10.625 11.021 -0.620 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.009 11.809 1.449 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.201 10.671 1.569 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.495 9.203 0.924 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -9.088 8.995 2.956 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -9.814 10.454 3.601 1.00 0.58 H new ATOM 427 N ARG A 28 -6.822 10.783 1.361 1.00 0.33 N ATOM 428 CA ARG A 28 -5.457 10.331 1.160 1.00 0.33 C ATOM 429 C ARG A 28 -4.767 10.081 2.505 1.00 0.30 C ATOM 430 O ARG A 28 -4.749 10.949 3.374 1.00 0.36 O ATOM 431 CB ARG A 28 -4.708 11.410 0.361 1.00 0.48 C ATOM 432 CG ARG A 28 -3.521 10.923 -0.467 1.00 0.72 C ATOM 433 CD ARG A 28 -2.362 10.463 0.395 1.00 0.76 C ATOM 434 NE ARG A 28 -2.092 11.389 1.492 1.00 1.75 N ATOM 435 CZ ARG A 28 -0.955 11.408 2.172 1.00 2.38 C ATOM 436 NH1 ARG A 28 0.094 10.739 1.725 1.00 2.45 N ATOM 437 NH2 ARG A 28 -0.853 12.141 3.268 1.00 3.31 N ATOM 0 H ARG A 28 -6.901 11.640 1.909 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.454 9.390 0.610 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.417 11.897 -0.308 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.353 12.170 1.057 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -3.842 10.101 -1.108 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.185 11.726 -1.123 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.582 9.475 0.801 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.469 10.363 -0.222 1.00 0.76 H new ATOM 0 HE ARG A 28 -2.818 12.057 1.749 1.00 1.75 H new ATOM 0 HH11 ARG A 28 0.028 10.208 0.857 1.00 2.45 H new ATOM 0 HH12 ARG A 28 0.969 10.754 2.249 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -1.649 12.691 3.589 1.00 3.31 H new ATOM 0 HH22 ARG A 28 0.022 12.156 3.792 1.00 3.31 H new ATOM 451 N TYR A 29 -4.215 8.886 2.665 1.00 0.28 N ATOM 452 CA TYR A 29 -3.464 8.520 3.864 1.00 0.27 C ATOM 453 C TYR A 29 -2.079 8.018 3.490 1.00 0.25 C ATOM 454 O TYR A 29 -1.934 7.289 2.505 1.00 0.27 O ATOM 455 CB TYR A 29 -4.201 7.444 4.676 1.00 0.34 C ATOM 456 CG TYR A 29 -5.411 7.968 5.419 1.00 0.93 C ATOM 457 CD1 TYR A 29 -5.283 8.514 6.689 1.00 1.30 C ATOM 458 CD2 TYR A 29 -6.676 7.927 4.849 1.00 1.65 C ATOM 459 CE1 TYR A 29 -6.382 9.001 7.370 1.00 1.95 C ATOM 460 CE2 TYR A 29 -7.780 8.410 5.524 1.00 2.31 C ATOM 461 CZ TYR A 29 -7.628 8.949 6.782 1.00 2.36 C ATOM 462 OH TYR A 29 -8.724 9.442 7.456 1.00 3.09 O ATOM 0 H TYR A 29 -4.274 8.142 1.970 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.370 9.414 4.480 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.515 6.645 4.004 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.508 7.003 5.393 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -4.308 8.559 7.152 1.00 1.30 H new ATOM 0 HD2 TYR A 29 -6.799 7.510 3.860 1.00 1.65 H new ATOM 0 HE1 TYR A 29 -6.266 9.420 8.358 1.00 1.95 H new ATOM 0 HE2 TYR A 29 -8.758 8.365 5.067 1.00 2.31 H new ATOM 0 HH TYR A 29 -9.525 9.331 6.903 1.00 3.09 H new ATOM 472 N ASP A 30 -1.062 8.424 4.248 1.00 0.27 N ATOM 473 CA ASP A 30 0.269 7.856 4.076 1.00 0.30 C ATOM 474 C ASP A 30 0.267 6.488 4.726 1.00 0.25 C ATOM 475 O ASP A 30 -0.004 6.363 5.920 1.00 0.34 O ATOM 476 CB ASP A 30 1.364 8.686 4.771 1.00 0.50 C ATOM 477 CG ASP A 30 1.497 10.107 4.278 1.00 1.27 C ATOM 478 OD1 ASP A 30 2.189 10.334 3.260 1.00 1.99 O ATOM 479 OD2 ASP A 30 0.927 11.014 4.920 1.00 2.01 O ATOM 0 H ASP A 30 -1.134 9.134 4.977 1.00 0.27 H new ATOM 0 HA ASP A 30 0.487 7.829 3.008 1.00 0.30 H new ATOM 0 HB2 ASP A 30 1.159 8.706 5.841 1.00 0.50 H new ATOM 0 HB3 ASP A 30 2.321 8.181 4.639 1.00 0.50 H new ATOM 484 N LEU A 31 0.544 5.474 3.950 1.00 0.18 N ATOM 485 CA LEU A 31 0.609 4.124 4.465 1.00 0.15 C ATOM 486 C LEU A 31 2.002 3.591 4.216 1.00 0.14 C ATOM 487 O LEU A 31 2.693 4.071 3.332 1.00 0.18 O ATOM 488 CB LEU A 31 -0.458 3.243 3.812 1.00 0.15 C ATOM 489 CG LEU A 31 -1.313 2.429 4.770 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.484 1.335 5.424 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.918 3.341 5.823 1.00 0.16 C ATOM 0 H LEU A 31 0.730 5.554 2.950 1.00 0.18 H new ATOM 0 HA LEU A 31 0.407 4.118 5.536 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.114 3.878 3.218 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.034 2.558 3.121 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.119 1.956 4.209 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.111 0.762 6.107 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.085 0.673 4.656 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.339 1.785 5.979 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.530 2.752 6.507 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -1.121 3.832 6.381 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.539 4.095 5.338 1.00 0.16 H new ATOM 503 N LEU A 32 2.449 2.652 5.006 1.00 0.15 N ATOM 504 CA LEU A 32 3.823 2.225 4.910 1.00 0.16 C ATOM 505 C LEU A 32 3.903 0.791 4.423 1.00 0.14 C ATOM 506 O LEU A 32 3.126 -0.063 4.852 1.00 0.14 O ATOM 507 CB LEU A 32 4.519 2.452 6.257 1.00 0.19 C ATOM 508 CG LEU A 32 5.634 1.481 6.637 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.680 2.209 7.455 1.00 0.52 C ATOM 510 CD2 LEU A 32 5.078 0.310 7.438 1.00 0.73 C ATOM 0 H LEU A 32 1.893 2.173 5.714 1.00 0.15 H new ATOM 0 HA LEU A 32 4.354 2.821 4.168 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.934 3.460 6.258 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.761 2.419 7.039 1.00 0.19 H new ATOM 0 HG LEU A 32 6.086 1.092 5.725 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.476 1.516 7.727 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.096 3.028 6.868 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.222 2.608 8.360 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.889 -0.370 7.699 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.609 0.682 8.349 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.337 -0.221 6.840 1.00 0.73 H new ATOM 522 N VAL A 33 4.859 0.545 3.534 1.00 0.14 N ATOM 523 CA VAL A 33 5.022 -0.758 2.899 1.00 0.14 C ATOM 524 C VAL A 33 5.384 -1.787 3.958 1.00 0.14 C ATOM 525 O VAL A 33 6.066 -1.468 4.929 1.00 0.15 O ATOM 526 CB VAL A 33 6.109 -0.704 1.778 1.00 0.17 C ATOM 527 CG1 VAL A 33 7.060 -1.898 1.832 1.00 0.98 C ATOM 528 CG2 VAL A 33 5.438 -0.630 0.417 1.00 1.15 C ATOM 0 H VAL A 33 5.541 1.241 3.234 1.00 0.14 H new ATOM 0 HA VAL A 33 4.083 -1.045 2.426 1.00 0.14 H new ATOM 0 HB VAL A 33 6.709 0.191 1.945 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.796 -1.813 1.033 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.570 -1.913 2.795 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.493 -2.821 1.707 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.199 -0.592 -0.362 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.813 -1.511 0.271 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.820 0.266 0.364 1.00 1.15 H new ATOM 538 N THR A 34 4.947 -3.022 3.765 1.00 0.14 N ATOM 539 CA THR A 34 4.892 -3.969 4.856 1.00 0.17 C ATOM 540 C THR A 34 6.256 -4.603 5.112 1.00 0.17 C ATOM 541 O THR A 34 6.863 -5.217 4.231 1.00 0.18 O ATOM 542 CB THR A 34 3.851 -5.061 4.558 1.00 0.19 C ATOM 543 OG1 THR A 34 2.607 -4.447 4.193 1.00 0.21 O ATOM 544 CG2 THR A 34 3.636 -5.966 5.765 1.00 0.23 C ATOM 0 H THR A 34 4.628 -3.386 2.867 1.00 0.14 H new ATOM 0 HA THR A 34 4.598 -3.427 5.755 1.00 0.17 H new ATOM 0 HB THR A 34 4.223 -5.673 3.736 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.738 -3.889 3.398 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.895 -6.727 5.522 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.577 -6.448 6.031 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.282 -5.371 6.607 1.00 0.23 H new ATOM 552 N PRO A 35 6.741 -4.418 6.352 1.00 0.18 N ATOM 553 CA PRO A 35 8.065 -4.855 6.789 1.00 0.20 C ATOM 554 C PRO A 35 8.204 -6.371 6.853 1.00 0.23 C ATOM 555 O PRO A 35 7.211 -7.099 6.882 1.00 0.35 O ATOM 556 CB PRO A 35 8.209 -4.238 8.179 1.00 0.27 C ATOM 557 CG PRO A 35 6.814 -4.081 8.666 1.00 0.32 C ATOM 558 CD PRO A 35 5.997 -3.761 7.448 1.00 0.22 C ATOM 0 HA PRO A 35 8.839 -4.542 6.088 1.00 0.20 H new ATOM 0 HB2 PRO A 35 8.790 -4.881 8.840 1.00 0.27 H new ATOM 0 HB3 PRO A 35 8.724 -3.278 8.135 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.461 -4.994 9.146 1.00 0.32 H new ATOM 0 HG3 PRO A 35 6.744 -3.284 9.406 1.00 0.32 H new ATOM 0 HD2 PRO A 35 4.982 -4.148 7.533 1.00 0.22 H new ATOM 0 HD3 PRO A 35 5.916 -2.686 7.290 1.00 0.22 H new ATOM 566 N GLN A 36 9.458 -6.815 6.866 1.00 0.26 N ATOM 567 CA GLN A 36 9.820 -8.229 6.841 1.00 0.29 C ATOM 568 C GLN A 36 9.568 -8.862 5.470 1.00 0.30 C ATOM 569 O GLN A 36 8.798 -9.814 5.332 1.00 0.73 O ATOM 570 CB GLN A 36 9.119 -9.023 7.945 1.00 0.42 C ATOM 571 CG GLN A 36 9.549 -8.614 9.343 1.00 0.59 C ATOM 572 CD GLN A 36 9.210 -9.660 10.383 1.00 0.98 C ATOM 573 OE1 GLN A 36 8.140 -9.632 10.990 1.00 1.69 O ATOM 574 NE2 GLN A 36 10.124 -10.595 10.589 1.00 1.72 N ATOM 0 H GLN A 36 10.265 -6.192 6.895 1.00 0.26 H new ATOM 0 HA GLN A 36 10.892 -8.274 7.034 1.00 0.29 H new ATOM 0 HB2 GLN A 36 8.041 -8.890 7.850 1.00 0.42 H new ATOM 0 HB3 GLN A 36 9.323 -10.085 7.805 1.00 0.42 H new ATOM 0 HG2 GLN A 36 10.624 -8.434 9.351 1.00 0.59 H new ATOM 0 HG3 GLN A 36 9.066 -7.673 9.608 1.00 0.59 H new ATOM 0 HE21 GLN A 36 10.998 -10.579 10.063 1.00 1.72 H new ATOM 0 HE22 GLN A 36 9.955 -11.331 11.274 1.00 1.72 H new ATOM 583 N GLN A 37 10.226 -8.308 4.461 1.00 0.33 N ATOM 584 CA GLN A 37 10.250 -8.894 3.127 1.00 0.26 C ATOM 585 C GLN A 37 11.656 -8.775 2.579 1.00 0.30 C ATOM 586 O GLN A 37 12.509 -9.637 2.769 1.00 0.74 O ATOM 587 CB GLN A 37 9.303 -8.167 2.159 1.00 0.23 C ATOM 588 CG GLN A 37 8.492 -9.115 1.275 1.00 0.26 C ATOM 589 CD GLN A 37 9.345 -10.215 0.673 1.00 0.44 C ATOM 590 OE1 GLN A 37 9.508 -11.285 1.256 1.00 1.02 O ATOM 591 NE2 GLN A 37 9.892 -9.957 -0.499 1.00 1.42 N ATOM 0 H GLN A 37 10.757 -7.441 4.543 1.00 0.33 H new ATOM 0 HA GLN A 37 9.928 -9.932 3.210 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.618 -7.543 2.733 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.886 -7.500 1.524 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.691 -9.561 1.864 1.00 0.26 H new ATOM 0 HG3 GLN A 37 8.019 -8.546 0.474 1.00 0.26 H new ATOM 0 HE21 GLN A 37 9.732 -9.056 -0.949 1.00 1.42 H new ATOM 0 HE22 GLN A 37 10.475 -10.659 -0.955 1.00 1.42 H new ATOM 600 N GLY A 38 11.866 -7.662 1.912 1.00 0.43 N ATOM 601 CA GLY A 38 13.169 -7.244 1.482 1.00 0.34 C ATOM 602 C GLY A 38 13.190 -5.750 1.541 1.00 0.38 C ATOM 603 O GLY A 38 13.978 -5.103 0.858 1.00 0.83 O ATOM 0 H GLY A 38 11.120 -7.016 1.652 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.941 -7.666 2.125 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.371 -7.593 0.469 1.00 0.34 H new ATOM 607 N ASN A 39 12.269 -5.242 2.390 1.00 0.27 N ATOM 608 CA ASN A 39 11.894 -3.817 2.535 1.00 0.22 C ATOM 609 C ASN A 39 11.476 -3.155 1.229 1.00 0.21 C ATOM 610 O ASN A 39 10.455 -2.475 1.173 1.00 0.27 O ATOM 611 CB ASN A 39 12.960 -2.974 3.253 1.00 0.29 C ATOM 612 CG ASN A 39 14.370 -3.091 2.707 1.00 0.40 C ATOM 613 OD1 ASN A 39 14.723 -2.441 1.722 1.00 1.06 O ATOM 614 ND2 ASN A 39 15.195 -3.895 3.365 1.00 1.11 N ATOM 0 H ASN A 39 11.742 -5.843 3.023 1.00 0.27 H new ATOM 0 HA ASN A 39 11.012 -3.844 3.176 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.659 -1.927 3.209 1.00 0.29 H new ATOM 0 HB3 ASN A 39 12.973 -3.258 4.305 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.163 -3.993 3.060 1.00 1.11 H new ATOM 0 HD22 ASN A 39 14.861 -4.415 4.176 1.00 1.11 H new ATOM 621 N SER A 40 12.238 -3.379 0.194 1.00 0.24 N ATOM 622 CA SER A 40 12.033 -2.739 -1.088 1.00 0.32 C ATOM 623 C SER A 40 11.008 -3.506 -1.899 1.00 0.32 C ATOM 624 O SER A 40 10.465 -3.010 -2.871 1.00 0.50 O ATOM 625 CB SER A 40 13.359 -2.723 -1.830 1.00 0.40 C ATOM 626 OG SER A 40 14.374 -2.105 -1.045 1.00 1.42 O ATOM 0 H SER A 40 13.032 -4.019 0.212 1.00 0.24 H new ATOM 0 HA SER A 40 11.667 -1.723 -0.939 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.655 -3.743 -2.076 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.246 -2.187 -2.773 1.00 0.40 H new ATOM 0 HG SER A 40 14.370 -2.490 -0.144 1.00 1.42 H new ATOM 632 N GLU A 41 10.727 -4.707 -1.447 1.00 0.24 N ATOM 633 CA GLU A 41 9.938 -5.655 -2.186 1.00 0.31 C ATOM 634 C GLU A 41 8.888 -6.193 -1.242 1.00 0.26 C ATOM 635 O GLU A 41 9.097 -7.214 -0.618 1.00 0.30 O ATOM 636 CB GLU A 41 10.863 -6.771 -2.690 1.00 0.45 C ATOM 637 CG GLU A 41 10.161 -7.936 -3.358 1.00 1.12 C ATOM 638 CD GLU A 41 11.118 -9.060 -3.696 1.00 1.32 C ATOM 639 OE1 GLU A 41 11.761 -9.595 -2.770 1.00 1.83 O ATOM 640 OE2 GLU A 41 11.234 -9.417 -4.883 1.00 1.66 O ATOM 0 H GLU A 41 11.047 -5.054 -0.543 1.00 0.24 H new ATOM 0 HA GLU A 41 9.451 -5.203 -3.050 1.00 0.31 H new ATOM 0 HB2 GLU A 41 11.573 -6.341 -3.397 1.00 0.45 H new ATOM 0 HB3 GLU A 41 11.441 -7.150 -1.848 1.00 0.45 H new ATOM 0 HG2 GLU A 41 9.378 -8.313 -2.700 1.00 1.12 H new ATOM 0 HG3 GLU A 41 9.672 -7.590 -4.269 1.00 1.12 H new ATOM 647 N PRO A 42 7.774 -5.470 -1.090 1.00 0.22 N ATOM 648 CA PRO A 42 6.758 -5.750 -0.065 1.00 0.21 C ATOM 649 C PRO A 42 6.108 -7.124 -0.209 1.00 0.20 C ATOM 650 O PRO A 42 6.205 -7.768 -1.248 1.00 0.20 O ATOM 651 CB PRO A 42 5.712 -4.656 -0.269 1.00 0.23 C ATOM 652 CG PRO A 42 6.390 -3.605 -1.075 1.00 0.26 C ATOM 653 CD PRO A 42 7.405 -4.313 -1.919 1.00 0.24 C ATOM 0 HA PRO A 42 7.208 -5.757 0.928 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.835 -5.043 -0.787 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.369 -4.258 0.686 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.673 -3.069 -1.697 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.867 -2.867 -0.430 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.989 -4.620 -2.878 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.265 -3.679 -2.133 1.00 0.24 H new ATOM 661 N VAL A 43 5.455 -7.569 0.857 1.00 0.21 N ATOM 662 CA VAL A 43 4.798 -8.870 0.866 1.00 0.22 C ATOM 663 C VAL A 43 3.479 -8.802 0.110 1.00 0.19 C ATOM 664 O VAL A 43 2.924 -7.722 -0.052 1.00 0.17 O ATOM 665 CB VAL A 43 4.512 -9.362 2.302 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.795 -9.564 3.089 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.593 -8.398 3.034 1.00 0.24 C ATOM 0 H VAL A 43 5.366 -7.047 1.729 1.00 0.21 H new ATOM 0 HA VAL A 43 5.479 -9.571 0.383 1.00 0.22 H new ATOM 0 HB VAL A 43 4.012 -10.327 2.219 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.555 -9.910 4.094 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.416 -10.307 2.588 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.337 -8.620 3.150 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.407 -8.767 4.043 1.00 0.24 H new ATOM 0 HG22 VAL A 43 4.064 -7.416 3.088 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.648 -8.318 2.497 1.00 0.24 H new ATOM 677 N VAL A 44 2.959 -9.954 -0.305 1.00 0.22 N ATOM 678 CA VAL A 44 1.682 -10.013 -1.027 1.00 0.22 C ATOM 679 C VAL A 44 0.587 -9.287 -0.250 1.00 0.20 C ATOM 680 O VAL A 44 -0.320 -8.696 -0.834 1.00 0.25 O ATOM 681 CB VAL A 44 1.247 -11.468 -1.304 1.00 0.27 C ATOM 682 CG1 VAL A 44 1.925 -11.999 -2.555 1.00 0.36 C ATOM 683 CG2 VAL A 44 1.563 -12.363 -0.116 1.00 0.36 C ATOM 0 H VAL A 44 3.399 -10.862 -0.156 1.00 0.22 H new ATOM 0 HA VAL A 44 1.833 -9.515 -1.985 1.00 0.22 H new ATOM 0 HB VAL A 44 0.169 -11.473 -1.462 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.606 -13.026 -2.734 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.650 -11.380 -3.409 1.00 0.36 H new ATOM 0 HG13 VAL A 44 3.006 -11.973 -2.422 1.00 0.36 H new ATOM 0 HG21 VAL A 44 1.247 -13.383 -0.335 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.636 -12.348 0.075 1.00 0.36 H new ATOM 0 HG23 VAL A 44 1.032 -12.000 0.764 1.00 0.36 H new ATOM 693 N GLN A 45 0.712 -9.327 1.067 1.00 0.19 N ATOM 694 CA GLN A 45 -0.239 -8.699 1.978 1.00 0.19 C ATOM 695 C GLN A 45 -0.292 -7.188 1.776 1.00 0.16 C ATOM 696 O GLN A 45 -1.348 -6.582 1.918 1.00 0.19 O ATOM 697 CB GLN A 45 0.114 -9.019 3.429 1.00 0.25 C ATOM 698 CG GLN A 45 0.028 -10.498 3.758 1.00 0.62 C ATOM 699 CD GLN A 45 0.369 -10.804 5.206 1.00 0.89 C ATOM 700 OE1 GLN A 45 0.161 -9.979 6.098 1.00 1.66 O ATOM 701 NE2 GLN A 45 0.887 -11.997 5.453 1.00 1.44 N ATOM 0 H GLN A 45 1.482 -9.800 1.540 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.225 -9.106 1.753 1.00 0.19 H new ATOM 0 HB2 GLN A 45 1.125 -8.667 3.636 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.557 -8.468 4.088 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -0.980 -10.854 3.545 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.706 -11.050 3.106 1.00 0.62 H new ATOM 0 HE21 GLN A 45 1.044 -12.653 4.688 1.00 1.44 H new ATOM 0 HE22 GLN A 45 1.129 -12.260 6.408 1.00 1.44 H new ATOM 710 N ASP A 46 0.847 -6.606 1.424 1.00 0.15 N ATOM 711 CA ASP A 46 1.059 -5.158 1.491 1.00 0.14 C ATOM 712 C ASP A 46 0.038 -4.368 0.687 1.00 0.14 C ATOM 713 O ASP A 46 -0.493 -3.373 1.172 1.00 0.15 O ATOM 714 CB ASP A 46 2.458 -4.836 0.983 1.00 0.17 C ATOM 715 CG ASP A 46 2.674 -3.360 0.746 1.00 0.14 C ATOM 716 OD1 ASP A 46 3.090 -2.656 1.699 1.00 0.16 O ATOM 717 OD2 ASP A 46 2.420 -2.906 -0.382 1.00 0.17 O ATOM 0 H ASP A 46 1.656 -7.124 1.082 1.00 0.15 H new ATOM 0 HA ASP A 46 0.941 -4.862 2.533 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.192 -5.194 1.705 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.635 -5.377 0.054 1.00 0.17 H new ATOM 722 N LEU A 47 -0.261 -4.811 -0.523 1.00 0.18 N ATOM 723 CA LEU A 47 -1.128 -4.070 -1.395 1.00 0.22 C ATOM 724 C LEU A 47 -2.518 -3.897 -0.765 1.00 0.19 C ATOM 725 O LEU A 47 -3.070 -2.787 -0.719 1.00 0.22 O ATOM 726 CB LEU A 47 -1.160 -4.805 -2.738 1.00 0.28 C ATOM 727 CG LEU A 47 -1.501 -6.304 -2.687 1.00 0.62 C ATOM 728 CD1 LEU A 47 -2.994 -6.535 -2.812 1.00 1.07 C ATOM 729 CD2 LEU A 47 -0.758 -7.062 -3.772 1.00 1.01 C ATOM 0 H LEU A 47 0.090 -5.684 -0.916 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.759 -3.057 -1.556 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.888 -4.310 -3.381 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.186 -4.692 -3.213 1.00 0.28 H new ATOM 0 HG LEU A 47 -1.181 -6.681 -1.716 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.201 -7.604 -2.772 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.509 -6.035 -1.992 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -3.346 -6.132 -3.762 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -1.014 -8.120 -3.717 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.041 -6.670 -4.749 1.00 1.01 H new ATOM 0 HD23 LEU A 47 0.316 -6.941 -3.630 1.00 1.01 H new ATOM 741 N ALA A 48 -3.044 -4.983 -0.217 1.00 0.18 N ATOM 742 CA ALA A 48 -4.311 -4.953 0.493 1.00 0.17 C ATOM 743 C ALA A 48 -4.157 -4.203 1.802 1.00 0.14 C ATOM 744 O ALA A 48 -5.038 -3.457 2.221 1.00 0.16 O ATOM 745 CB ALA A 48 -4.798 -6.369 0.752 1.00 0.19 C ATOM 0 H ALA A 48 -2.606 -5.904 -0.252 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.048 -4.436 -0.122 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.748 -6.335 1.285 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -4.933 -6.887 -0.198 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.063 -6.902 1.355 1.00 0.19 H new ATOM 751 N GLN A 49 -2.995 -4.396 2.406 1.00 0.13 N ATOM 752 CA GLN A 49 -2.686 -3.872 3.723 1.00 0.13 C ATOM 753 C GLN A 49 -2.738 -2.370 3.744 1.00 0.12 C ATOM 754 O GLN A 49 -3.340 -1.767 4.618 1.00 0.13 O ATOM 755 CB GLN A 49 -1.272 -4.296 4.112 1.00 0.15 C ATOM 756 CG GLN A 49 -0.785 -3.706 5.418 1.00 0.20 C ATOM 757 CD GLN A 49 -1.272 -4.480 6.631 1.00 0.33 C ATOM 758 OE1 GLN A 49 -1.466 -3.916 7.704 1.00 0.94 O ATOM 759 NE2 GLN A 49 -1.479 -5.779 6.468 1.00 1.35 N ATOM 0 H GLN A 49 -2.232 -4.928 1.988 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.426 -4.265 4.420 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.237 -5.383 4.182 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.586 -4.005 3.317 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.305 -3.686 5.419 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.122 -2.672 5.493 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -1.307 -6.213 5.561 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -1.811 -6.345 7.249 1.00 1.35 H new ATOM 768 N LEU A 50 -2.093 -1.782 2.769 1.00 0.12 N ATOM 769 CA LEU A 50 -1.944 -0.342 2.714 1.00 0.12 C ATOM 770 C LEU A 50 -3.309 0.355 2.653 1.00 0.12 C ATOM 771 O LEU A 50 -3.639 1.208 3.493 1.00 0.13 O ATOM 772 CB LEU A 50 -1.108 0.006 1.488 1.00 0.12 C ATOM 773 CG LEU A 50 0.333 -0.535 1.480 1.00 0.11 C ATOM 774 CD1 LEU A 50 0.988 -0.268 0.138 1.00 0.12 C ATOM 775 CD2 LEU A 50 1.140 0.090 2.599 1.00 0.13 C ATOM 0 H LEU A 50 -1.657 -2.280 1.993 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.446 0.007 3.618 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.622 -0.371 0.603 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -1.068 1.091 1.396 1.00 0.12 H new ATOM 0 HG LEU A 50 0.300 -1.613 1.641 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.007 -0.656 0.147 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.418 -0.762 -0.649 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.010 0.806 -0.049 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.156 -0.304 2.579 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.167 1.172 2.468 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.678 -0.148 3.557 1.00 0.13 H new ATOM 787 N VAL A 51 -4.126 -0.064 1.700 1.00 0.11 N ATOM 788 CA VAL A 51 -5.461 0.493 1.525 1.00 0.10 C ATOM 789 C VAL A 51 -6.331 0.224 2.762 1.00 0.10 C ATOM 790 O VAL A 51 -7.134 1.071 3.163 1.00 0.10 O ATOM 791 CB VAL A 51 -6.070 -0.093 0.254 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.377 -0.807 0.512 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.240 1.005 -0.774 1.00 0.18 C ATOM 0 H VAL A 51 -3.887 -0.794 1.030 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.404 1.576 1.418 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.385 -0.848 -0.131 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.766 -1.204 -0.426 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.212 -1.626 1.212 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.097 -0.107 0.936 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.675 0.589 -1.683 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.900 1.777 -0.377 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.268 1.442 -1.004 1.00 0.18 H new ATOM 803 N GLU A 52 -6.124 -0.941 3.376 1.00 0.11 N ATOM 804 CA GLU A 52 -6.854 -1.346 4.576 1.00 0.12 C ATOM 805 C GLU A 52 -6.403 -0.547 5.801 1.00 0.13 C ATOM 806 O GLU A 52 -7.228 -0.029 6.553 1.00 0.16 O ATOM 807 CB GLU A 52 -6.650 -2.853 4.805 1.00 0.17 C ATOM 808 CG GLU A 52 -7.087 -3.363 6.169 1.00 0.50 C ATOM 809 CD GLU A 52 -6.859 -4.855 6.324 1.00 0.53 C ATOM 810 OE1 GLU A 52 -5.714 -5.264 6.620 1.00 0.74 O ATOM 811 OE2 GLU A 52 -7.828 -5.629 6.172 1.00 0.74 O ATOM 0 H GLU A 52 -5.445 -1.631 3.055 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.914 -1.139 4.429 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -7.199 -3.399 4.037 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.594 -3.086 4.669 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.539 -2.831 6.946 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -8.144 -3.142 6.316 1.00 0.50 H new ATOM 818 N GLU A 53 -5.091 -0.412 5.971 1.00 0.13 N ATOM 819 CA GLU A 53 -4.521 0.209 7.164 1.00 0.15 C ATOM 820 C GLU A 53 -4.819 1.701 7.210 1.00 0.16 C ATOM 821 O GLU A 53 -4.848 2.301 8.288 1.00 0.19 O ATOM 822 CB GLU A 53 -3.006 -0.012 7.208 1.00 0.19 C ATOM 823 CG GLU A 53 -2.292 0.843 8.245 1.00 0.24 C ATOM 824 CD GLU A 53 -1.860 0.061 9.467 1.00 0.84 C ATOM 825 OE1 GLU A 53 -2.670 -0.081 10.408 1.00 1.32 O ATOM 826 OE2 GLU A 53 -0.715 -0.432 9.482 1.00 1.51 O ATOM 0 H GLU A 53 -4.398 -0.727 5.292 1.00 0.13 H new ATOM 0 HA GLU A 53 -4.983 -0.262 8.032 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -2.807 -1.063 7.418 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.588 0.201 6.224 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -1.416 1.302 7.787 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -2.952 1.654 8.555 1.00 0.24 H new ATOM 833 N ALA A 54 -5.057 2.295 6.047 1.00 0.16 N ATOM 834 CA ALA A 54 -5.259 3.735 5.970 1.00 0.18 C ATOM 835 C ALA A 54 -6.386 4.201 6.888 1.00 0.21 C ATOM 836 O ALA A 54 -6.218 5.152 7.650 1.00 0.30 O ATOM 837 CB ALA A 54 -5.554 4.139 4.537 1.00 0.24 C ATOM 0 H ALA A 54 -5.114 1.807 5.153 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.341 4.218 6.305 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.704 5.217 4.487 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.715 3.859 3.900 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.455 3.631 4.194 1.00 0.24 H new ATOM 843 N THR A 55 -7.530 3.549 6.811 1.00 0.25 N ATOM 844 CA THR A 55 -8.645 3.898 7.677 1.00 0.33 C ATOM 845 C THR A 55 -9.026 2.770 8.639 1.00 0.29 C ATOM 846 O THR A 55 -9.837 2.969 9.546 1.00 0.39 O ATOM 847 CB THR A 55 -9.857 4.307 6.838 1.00 0.51 C ATOM 848 OG1 THR A 55 -9.620 3.944 5.473 1.00 1.14 O ATOM 849 CG2 THR A 55 -10.107 5.804 6.942 1.00 1.66 C ATOM 0 H THR A 55 -7.713 2.781 6.165 1.00 0.25 H new ATOM 0 HA THR A 55 -8.319 4.740 8.288 1.00 0.33 H new ATOM 0 HB THR A 55 -10.741 3.791 7.213 1.00 0.51 H new ATOM 0 HG1 THR A 55 -8.958 4.552 5.083 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.974 6.071 6.337 1.00 1.66 H new ATOM 0 HG22 THR A 55 -10.295 6.070 7.982 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.232 6.345 6.581 1.00 1.66 H new ATOM 857 N GLY A 56 -8.447 1.588 8.443 1.00 0.25 N ATOM 858 CA GLY A 56 -8.772 0.456 9.296 1.00 0.26 C ATOM 859 C GLY A 56 -9.951 -0.340 8.770 1.00 0.29 C ATOM 860 O GLY A 56 -10.591 -1.083 9.513 1.00 0.34 O ATOM 0 H GLY A 56 -7.762 1.394 7.713 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.903 -0.197 9.377 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.997 0.814 10.301 1.00 0.26 H new ATOM 864 N VAL A 57 -10.241 -0.179 7.486 1.00 0.30 N ATOM 865 CA VAL A 57 -11.400 -0.812 6.871 1.00 0.36 C ATOM 866 C VAL A 57 -11.074 -2.234 6.425 1.00 0.29 C ATOM 867 O VAL A 57 -9.950 -2.528 6.040 1.00 0.26 O ATOM 868 CB VAL A 57 -11.897 -0.018 5.644 1.00 0.50 C ATOM 869 CG1 VAL A 57 -13.392 0.224 5.732 1.00 1.62 C ATOM 870 CG2 VAL A 57 -11.156 1.296 5.502 1.00 1.33 C ATOM 0 H VAL A 57 -9.685 0.389 6.846 1.00 0.30 H new ATOM 0 HA VAL A 57 -12.183 -0.831 7.629 1.00 0.36 H new ATOM 0 HB VAL A 57 -11.693 -0.617 4.756 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -13.722 0.785 4.858 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -13.914 -0.732 5.768 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -13.616 0.793 6.634 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -11.529 1.831 4.629 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -11.315 1.902 6.394 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -10.090 1.102 5.381 1.00 1.33 H new ATOM 880 N PRO A 58 -12.057 -3.137 6.515 1.00 0.32 N ATOM 881 CA PRO A 58 -11.937 -4.527 6.051 1.00 0.34 C ATOM 882 C PRO A 58 -11.929 -4.676 4.531 1.00 0.31 C ATOM 883 O PRO A 58 -12.434 -3.808 3.816 1.00 0.27 O ATOM 884 CB PRO A 58 -13.187 -5.191 6.612 1.00 0.39 C ATOM 885 CG PRO A 58 -14.170 -4.080 6.653 1.00 0.39 C ATOM 886 CD PRO A 58 -13.385 -2.889 7.108 1.00 0.37 C ATOM 0 HA PRO A 58 -10.992 -4.961 6.379 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.529 -6.008 5.977 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -13.011 -5.610 7.603 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.615 -3.909 5.673 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.987 -4.301 7.340 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.821 -1.956 6.752 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -13.339 -2.825 8.195 1.00 0.37 H new ATOM 894 N LEU A 59 -11.382 -5.791 4.052 1.00 0.35 N ATOM 895 CA LEU A 59 -11.304 -6.082 2.615 1.00 0.36 C ATOM 896 C LEU A 59 -12.619 -5.804 1.854 1.00 0.36 C ATOM 897 O LEU A 59 -12.582 -5.204 0.784 1.00 0.37 O ATOM 898 CB LEU A 59 -10.930 -7.549 2.397 1.00 0.45 C ATOM 899 CG LEU A 59 -9.679 -8.030 3.123 1.00 1.21 C ATOM 900 CD1 LEU A 59 -9.532 -9.529 2.943 1.00 1.79 C ATOM 901 CD2 LEU A 59 -8.444 -7.305 2.610 1.00 2.08 C ATOM 0 H LEU A 59 -10.980 -6.519 4.643 1.00 0.35 H new ATOM 0 HA LEU A 59 -10.542 -5.411 2.218 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -11.770 -8.169 2.711 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.793 -7.714 1.328 1.00 0.45 H new ATOM 0 HG LEU A 59 -9.779 -7.807 4.185 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -8.637 -9.872 3.462 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -10.406 -10.032 3.355 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -9.447 -9.761 1.881 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -7.564 -7.665 3.143 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -8.326 -7.497 1.543 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -8.556 -6.234 2.776 1.00 2.08 H new ATOM 913 N PRO A 60 -13.810 -6.213 2.368 1.00 0.38 N ATOM 914 CA PRO A 60 -15.070 -6.039 1.632 1.00 0.41 C ATOM 915 C PRO A 60 -15.480 -4.575 1.486 1.00 0.38 C ATOM 916 O PRO A 60 -16.291 -4.234 0.623 1.00 0.46 O ATOM 917 CB PRO A 60 -16.103 -6.793 2.470 1.00 0.47 C ATOM 918 CG PRO A 60 -15.306 -7.632 3.402 1.00 0.52 C ATOM 919 CD PRO A 60 -14.054 -6.860 3.665 1.00 0.42 C ATOM 0 HA PRO A 60 -14.977 -6.410 0.611 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.749 -6.104 3.014 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -16.749 -7.406 1.842 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -15.853 -7.819 4.326 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -15.082 -8.604 2.961 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -14.185 -6.131 4.465 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -13.229 -7.510 3.958 1.00 0.42 H new ATOM 927 N PHE A 61 -14.920 -3.713 2.323 1.00 0.33 N ATOM 928 CA PHE A 61 -15.290 -2.305 2.318 1.00 0.34 C ATOM 929 C PHE A 61 -14.408 -1.490 1.387 1.00 0.28 C ATOM 930 O PHE A 61 -14.798 -0.414 0.944 1.00 0.31 O ATOM 931 CB PHE A 61 -15.204 -1.731 3.727 1.00 0.37 C ATOM 932 CG PHE A 61 -16.486 -1.834 4.503 1.00 0.44 C ATOM 933 CD1 PHE A 61 -16.927 -3.061 4.972 1.00 0.45 C ATOM 934 CD2 PHE A 61 -17.246 -0.707 4.769 1.00 0.66 C ATOM 935 CE1 PHE A 61 -18.106 -3.161 5.685 1.00 0.56 C ATOM 936 CE2 PHE A 61 -18.424 -0.800 5.483 1.00 0.77 C ATOM 937 CZ PHE A 61 -18.860 -2.021 5.935 1.00 0.68 C ATOM 0 H PHE A 61 -14.210 -3.963 3.012 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.316 -2.243 1.955 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.417 -2.250 4.273 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.911 -0.683 3.665 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -16.343 -3.948 4.778 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -16.913 0.257 4.413 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -18.441 -4.122 6.047 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -19.003 0.089 5.686 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.787 -2.095 6.484 1.00 0.68 H new ATOM 947 N GLN A 62 -13.238 -2.002 1.056 1.00 0.22 N ATOM 948 CA GLN A 62 -12.366 -1.291 0.144 1.00 0.19 C ATOM 949 C GLN A 62 -12.032 -2.152 -1.063 1.00 0.19 C ATOM 950 O GLN A 62 -11.714 -3.328 -0.930 1.00 0.33 O ATOM 951 CB GLN A 62 -11.064 -0.836 0.814 1.00 0.19 C ATOM 952 CG GLN A 62 -10.188 -1.961 1.321 1.00 0.25 C ATOM 953 CD GLN A 62 -9.873 -1.842 2.790 1.00 0.40 C ATOM 954 OE1 GLN A 62 -9.835 -0.745 3.342 1.00 0.96 O ATOM 955 NE2 GLN A 62 -9.620 -2.969 3.426 1.00 0.29 N ATOM 0 H GLN A 62 -12.875 -2.892 1.398 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.911 -0.402 -0.174 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.493 -0.242 0.101 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.311 -0.181 1.649 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.685 -2.913 1.137 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.257 -1.973 0.755 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.664 -3.857 2.927 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.381 -2.952 4.417 1.00 0.29 H new ATOM 964 N LYS A 63 -12.115 -1.580 -2.245 1.00 0.19 N ATOM 965 CA LYS A 63 -11.620 -2.247 -3.419 1.00 0.18 C ATOM 966 C LYS A 63 -10.291 -1.628 -3.809 1.00 0.13 C ATOM 967 O LYS A 63 -10.250 -0.648 -4.549 1.00 0.14 O ATOM 968 CB LYS A 63 -12.619 -2.141 -4.563 1.00 0.26 C ATOM 969 CG LYS A 63 -13.073 -3.492 -5.097 1.00 1.14 C ATOM 970 CD LYS A 63 -11.893 -4.396 -5.435 1.00 1.68 C ATOM 971 CE LYS A 63 -12.344 -5.828 -5.682 1.00 2.52 C ATOM 972 NZ LYS A 63 -11.201 -6.748 -5.928 1.00 3.15 N ATOM 0 H LYS A 63 -12.519 -0.659 -2.413 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.480 -3.306 -3.203 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.491 -1.581 -4.224 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.170 -1.570 -5.376 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -13.705 -3.982 -4.356 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -13.683 -3.344 -5.988 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -11.383 -4.016 -6.320 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -11.172 -4.376 -4.618 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -12.912 -6.181 -4.821 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -13.017 -5.851 -6.539 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -11.559 -7.711 -6.091 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -10.673 -6.429 -6.765 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -10.571 -6.748 -5.100 1.00 3.15 H new ATOM 986 N LEU A 64 -9.208 -2.208 -3.312 1.00 0.12 N ATOM 987 CA LEU A 64 -7.890 -1.656 -3.538 1.00 0.10 C ATOM 988 C LEU A 64 -7.437 -2.001 -4.933 1.00 0.12 C ATOM 989 O LEU A 64 -7.337 -3.177 -5.293 1.00 0.14 O ATOM 990 CB LEU A 64 -6.905 -2.193 -2.477 1.00 0.11 C ATOM 991 CG LEU A 64 -5.392 -1.974 -2.718 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.781 -3.102 -3.534 1.00 0.48 C ATOM 993 CD2 LEU A 64 -5.132 -0.643 -3.401 1.00 0.51 C ATOM 0 H LEU A 64 -9.221 -3.060 -2.751 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.921 -0.570 -3.445 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.161 -1.736 -1.521 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -7.076 -3.265 -2.374 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.915 -1.966 -1.738 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.718 -2.910 -3.681 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.910 -4.046 -3.004 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.277 -3.160 -4.503 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.061 -0.517 -3.557 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.644 -0.622 -4.363 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.505 0.167 -2.774 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.221 -0.948 -5.703 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.658 -1.040 -7.026 1.00 0.14 C ATOM 1007 C ILE A 65 -5.472 -0.093 -7.127 1.00 0.15 C ATOM 1008 O ILE A 65 -5.631 1.128 -7.062 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.707 -0.596 -8.045 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -8.958 -1.481 -7.952 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -7.138 -0.599 -9.459 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -8.759 -2.888 -8.478 1.00 1.20 C ATOM 0 H ILE A 65 -7.438 0.006 -5.416 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.346 -2.066 -7.220 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.996 0.428 -7.809 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -9.275 -1.535 -6.911 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.767 -1.008 -8.508 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.907 -0.279 -10.162 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.291 0.085 -9.512 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.808 -1.605 -9.716 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -9.688 -3.449 -8.377 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -8.472 -2.846 -9.529 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -7.973 -3.382 -7.907 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.287 -0.646 -7.188 1.00 0.17 N ATOM 1025 CA PHE A 66 -3.095 0.112 -7.494 1.00 0.18 C ATOM 1026 C PHE A 66 -1.953 -0.819 -7.794 1.00 0.20 C ATOM 1027 O PHE A 66 -1.979 -1.961 -7.349 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.741 1.164 -6.470 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.722 2.541 -7.092 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -1.939 2.819 -8.199 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.475 3.567 -6.542 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -1.907 4.088 -8.747 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.452 4.838 -7.087 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.705 5.057 -8.284 1.00 0.36 C ATOM 0 H PHE A 66 -4.119 -1.639 -7.026 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.315 0.692 -8.390 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.463 1.140 -5.654 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.765 0.943 -6.038 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.344 2.033 -8.641 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.089 3.371 -5.675 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -1.228 4.300 -9.560 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.988 5.649 -6.617 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.783 5.996 -8.811 1.00 0.36 H new ATOM 1044 N LYS A 67 -1.023 -0.384 -8.633 1.00 0.22 N ATOM 1045 CA LYS A 67 0.173 -1.161 -8.985 1.00 0.25 C ATOM 1046 C LYS A 67 -0.208 -2.423 -9.739 1.00 0.28 C ATOM 1047 O LYS A 67 0.473 -3.447 -9.645 1.00 0.32 O ATOM 1048 CB LYS A 67 1.089 -1.538 -7.762 1.00 0.25 C ATOM 1049 CG LYS A 67 0.492 -1.484 -6.332 1.00 0.18 C ATOM 1050 CD LYS A 67 1.393 -2.207 -5.326 1.00 0.21 C ATOM 1051 CE LYS A 67 0.854 -2.142 -3.900 1.00 0.18 C ATOM 1052 NZ LYS A 67 1.944 -2.023 -2.885 1.00 0.19 N ATOM 0 H LYS A 67 -1.071 0.524 -9.096 1.00 0.22 H new ATOM 0 HA LYS A 67 0.763 -0.500 -9.620 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.458 -2.550 -7.927 1.00 0.25 H new ATOM 0 HB3 LYS A 67 1.955 -0.876 -7.783 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.364 -0.445 -6.028 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.498 -1.941 -6.331 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.498 -3.250 -5.623 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.389 -1.766 -5.354 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.180 -1.290 -3.807 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.266 -3.037 -3.695 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.556 -2.203 -1.937 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.689 -2.719 -3.092 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 2.347 -1.065 -2.919 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.294 -2.336 -10.505 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.816 -3.496 -11.200 1.00 0.38 C ATOM 1068 C GLY A 68 -2.235 -4.564 -10.227 1.00 0.38 C ATOM 1069 O GLY A 68 -2.447 -5.721 -10.590 1.00 0.47 O ATOM 0 H GLY A 68 -1.822 -1.477 -10.655 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.668 -3.204 -11.814 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -1.057 -3.892 -11.875 1.00 0.38 H new ATOM 1073 N LYS A 69 -2.332 -4.160 -8.979 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.641 -5.061 -7.902 1.00 0.33 C ATOM 1075 C LYS A 69 -3.931 -4.669 -7.227 1.00 0.24 C ATOM 1076 O LYS A 69 -4.212 -3.492 -6.999 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.497 -5.079 -6.895 1.00 0.41 C ATOM 1078 CG LYS A 69 -0.233 -5.669 -7.475 1.00 0.62 C ATOM 1079 CD LYS A 69 0.917 -5.637 -6.495 1.00 0.58 C ATOM 1080 CE LYS A 69 1.764 -6.886 -6.633 1.00 0.44 C ATOM 1081 NZ LYS A 69 2.025 -7.229 -8.057 1.00 1.21 N ATOM 0 H LYS A 69 -2.197 -3.192 -8.687 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.767 -6.063 -8.313 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.298 -4.062 -6.556 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.796 -5.655 -6.019 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.421 -6.699 -7.778 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.043 -5.118 -8.374 1.00 0.62 H new ATOM 0 HD2 LYS A 69 1.530 -4.753 -6.672 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.534 -5.560 -5.477 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.712 -6.740 -6.116 1.00 0.44 H new ATOM 0 HE3 LYS A 69 1.261 -7.721 -6.146 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.635 -8.070 -8.105 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 1.124 -7.427 -8.537 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.498 -6.430 -8.525 1.00 1.21 H new ATOM 1095 N SER A 70 -4.716 -5.666 -6.931 1.00 0.23 N ATOM 1096 CA SER A 70 -5.963 -5.472 -6.250 1.00 0.21 C ATOM 1097 C SER A 70 -5.919 -6.206 -4.924 1.00 0.23 C ATOM 1098 O SER A 70 -5.254 -7.226 -4.808 1.00 0.31 O ATOM 1099 CB SER A 70 -7.105 -5.971 -7.131 1.00 0.24 C ATOM 1100 OG SER A 70 -6.862 -7.298 -7.574 1.00 1.27 O ATOM 0 H SER A 70 -4.508 -6.639 -7.156 1.00 0.23 H new ATOM 0 HA SER A 70 -6.131 -4.414 -6.051 1.00 0.21 H new ATOM 0 HB2 SER A 70 -8.041 -5.935 -6.574 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.220 -5.312 -7.991 1.00 0.24 H new ATOM 0 HG SER A 70 -7.608 -7.597 -8.135 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.604 -5.688 -3.918 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.478 -6.259 -2.575 1.00 0.21 C ATOM 1108 C LEU A 71 -7.063 -7.659 -2.494 1.00 0.26 C ATOM 1109 O LEU A 71 -8.077 -7.963 -3.126 1.00 0.32 O ATOM 1110 CB LEU A 71 -7.143 -5.384 -1.515 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.642 -5.611 -1.294 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -9.112 -4.834 -0.079 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -9.453 -5.216 -2.520 1.00 1.21 C ATOM 0 H LEU A 71 -7.239 -4.894 -3.994 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.408 -6.308 -2.375 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.629 -5.544 -0.567 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.991 -4.340 -1.788 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.799 -6.676 -1.122 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -10.179 -5.002 0.070 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.565 -5.171 0.802 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.930 -3.771 -0.234 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.512 -5.390 -2.328 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -9.293 -4.160 -2.737 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -9.136 -5.814 -3.374 1.00 1.21 H new ATOM 1125 N LYS A 72 -6.407 -8.505 -1.716 1.00 0.34 N ATOM 1126 CA LYS A 72 -6.899 -9.844 -1.460 1.00 0.46 C ATOM 1127 C LYS A 72 -6.105 -10.470 -0.319 1.00 0.66 C ATOM 1128 O LYS A 72 -5.917 -11.688 -0.272 1.00 1.33 O ATOM 1129 CB LYS A 72 -6.746 -10.712 -2.715 1.00 0.47 C ATOM 1130 CG LYS A 72 -7.621 -11.956 -2.724 1.00 0.87 C ATOM 1131 CD LYS A 72 -7.236 -12.891 -3.859 1.00 1.37 C ATOM 1132 CE LYS A 72 -8.105 -14.138 -3.879 1.00 2.01 C ATOM 1133 NZ LYS A 72 -9.524 -13.823 -4.189 1.00 2.72 N ATOM 0 H LYS A 72 -5.527 -8.284 -1.249 1.00 0.34 H new ATOM 0 HA LYS A 72 -7.953 -9.786 -1.189 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -6.983 -10.109 -3.591 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -5.703 -11.015 -2.809 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -7.526 -12.478 -1.772 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -8.667 -11.667 -2.826 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -7.330 -12.367 -4.810 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -6.190 -13.178 -3.755 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -7.719 -14.837 -4.620 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -8.047 -14.636 -2.911 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -10.046 -14.706 -4.360 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -9.951 -13.318 -3.386 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -9.569 -13.224 -5.038 1.00 2.72 H new ATOM 1147 N GLU A 73 -5.662 -9.625 0.607 1.00 0.69 N ATOM 1148 CA GLU A 73 -4.671 -10.015 1.605 1.00 0.83 C ATOM 1149 C GLU A 73 -3.383 -10.415 0.898 1.00 0.82 C ATOM 1150 O GLU A 73 -2.567 -9.564 0.572 1.00 1.56 O ATOM 1151 CB GLU A 73 -5.173 -11.158 2.495 1.00 1.03 C ATOM 1152 CG GLU A 73 -6.441 -10.824 3.253 1.00 1.62 C ATOM 1153 CD GLU A 73 -7.006 -12.017 3.987 1.00 1.93 C ATOM 1154 OE1 GLU A 73 -7.676 -12.851 3.345 1.00 2.84 O ATOM 1155 OE2 GLU A 73 -6.793 -12.124 5.212 1.00 1.93 O ATOM 0 H GLU A 73 -5.977 -8.658 0.687 1.00 0.69 H new ATOM 0 HA GLU A 73 -4.486 -9.162 2.258 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -5.350 -12.038 1.877 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -4.392 -11.422 3.208 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -6.235 -10.026 3.967 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -7.188 -10.443 2.556 1.00 1.62 H new ATOM 1162 N MET A 74 -3.234 -11.698 0.614 1.00 0.58 N ATOM 1163 CA MET A 74 -2.081 -12.189 -0.127 1.00 0.54 C ATOM 1164 C MET A 74 -2.447 -12.366 -1.597 1.00 0.47 C ATOM 1165 O MET A 74 -3.019 -13.382 -1.995 1.00 0.61 O ATOM 1166 CB MET A 74 -1.568 -13.499 0.484 1.00 0.62 C ATOM 1167 CG MET A 74 -2.632 -14.570 0.672 1.00 1.44 C ATOM 1168 SD MET A 74 -2.012 -16.012 1.559 1.00 1.93 S ATOM 1169 CE MET A 74 -1.556 -15.265 3.123 1.00 2.96 C ATOM 0 H MET A 74 -3.899 -12.422 0.886 1.00 0.58 H new ATOM 0 HA MET A 74 -1.275 -11.458 -0.062 1.00 0.54 H new ATOM 0 HB2 MET A 74 -0.779 -13.897 -0.154 1.00 0.62 H new ATOM 0 HB3 MET A 74 -1.116 -13.281 1.452 1.00 0.62 H new ATOM 0 HG2 MET A 74 -3.476 -14.147 1.217 1.00 1.44 H new ATOM 0 HG3 MET A 74 -3.006 -14.881 -0.303 1.00 1.44 H new ATOM 0 HE1 MET A 74 -1.564 -16.024 3.905 1.00 2.96 H new ATOM 0 HE2 MET A 74 -0.557 -14.836 3.044 1.00 2.96 H new ATOM 0 HE3 MET A 74 -2.270 -14.480 3.373 1.00 2.96 H new ATOM 1179 N GLU A 75 -2.127 -11.360 -2.399 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.581 -11.312 -3.777 1.00 0.33 C ATOM 1181 C GLU A 75 -1.449 -11.598 -4.780 1.00 0.30 C ATOM 1182 O GLU A 75 -1.081 -12.753 -5.000 1.00 0.49 O ATOM 1183 CB GLU A 75 -3.238 -9.944 -4.012 1.00 0.38 C ATOM 1184 CG GLU A 75 -3.731 -9.669 -5.432 1.00 0.92 C ATOM 1185 CD GLU A 75 -4.716 -10.698 -5.956 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -5.932 -10.540 -5.714 1.00 2.49 O ATOM 1187 OE2 GLU A 75 -4.279 -11.686 -6.581 1.00 2.03 O ATOM 0 H GLU A 75 -1.553 -10.566 -2.116 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.311 -12.103 -3.947 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -4.084 -9.848 -3.331 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.521 -9.168 -3.742 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.201 -8.686 -5.458 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -2.872 -9.630 -6.102 1.00 0.92 H new ATOM 1194 N THR A 76 -0.888 -10.547 -5.361 1.00 0.27 N ATOM 1195 CA THR A 76 0.040 -10.688 -6.487 1.00 0.26 C ATOM 1196 C THR A 76 1.519 -10.510 -6.101 1.00 0.17 C ATOM 1197 O THR A 76 1.823 -9.849 -5.117 1.00 0.18 O ATOM 1198 CB THR A 76 -0.334 -9.709 -7.612 1.00 0.40 C ATOM 1199 OG1 THR A 76 -0.962 -8.549 -7.054 1.00 0.49 O ATOM 1200 CG2 THR A 76 -1.266 -10.368 -8.618 1.00 0.69 C ATOM 0 H THR A 76 -1.056 -9.583 -5.074 1.00 0.27 H new ATOM 0 HA THR A 76 -0.063 -11.716 -6.835 1.00 0.26 H new ATOM 0 HB THR A 76 0.578 -9.415 -8.132 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.735 -8.300 -7.602 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.516 -9.655 -9.404 1.00 0.69 H new ATOM 0 HG22 THR A 76 -0.772 -11.235 -9.058 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.178 -10.687 -8.114 1.00 0.69 H new ATOM 1208 N PRO A 77 2.438 -11.142 -6.885 1.00 0.19 N ATOM 1209 CA PRO A 77 3.902 -11.156 -6.680 1.00 0.18 C ATOM 1210 C PRO A 77 4.508 -9.982 -5.896 1.00 0.14 C ATOM 1211 O PRO A 77 4.235 -8.808 -6.163 1.00 0.16 O ATOM 1212 CB PRO A 77 4.403 -11.146 -8.116 1.00 0.30 C ATOM 1213 CG PRO A 77 3.404 -11.965 -8.871 1.00 0.36 C ATOM 1214 CD PRO A 77 2.106 -11.924 -8.091 1.00 0.28 C ATOM 0 HA PRO A 77 4.191 -12.003 -6.058 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.461 -10.131 -8.508 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.403 -11.574 -8.190 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.261 -11.567 -9.876 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.754 -12.991 -8.982 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.310 -11.452 -8.666 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.763 -12.926 -7.835 1.00 0.28 H new ATOM 1222 N LEU A 78 5.372 -10.351 -4.950 1.00 0.14 N ATOM 1223 CA LEU A 78 6.010 -9.436 -4.001 1.00 0.15 C ATOM 1224 C LEU A 78 6.983 -8.449 -4.647 1.00 0.16 C ATOM 1225 O LEU A 78 7.076 -7.299 -4.234 1.00 0.16 O ATOM 1226 CB LEU A 78 6.734 -10.241 -2.929 1.00 0.19 C ATOM 1227 CG LEU A 78 5.826 -11.086 -2.050 1.00 0.19 C ATOM 1228 CD1 LEU A 78 5.444 -12.390 -2.740 1.00 0.22 C ATOM 1229 CD2 LEU A 78 6.490 -11.364 -0.718 1.00 0.24 C ATOM 0 H LEU A 78 5.656 -11.322 -4.818 1.00 0.14 H new ATOM 0 HA LEU A 78 5.211 -8.835 -3.567 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.460 -10.894 -3.413 1.00 0.19 H new ATOM 0 HB3 LEU A 78 7.295 -9.555 -2.295 1.00 0.19 H new ATOM 0 HG LEU A 78 4.910 -10.522 -1.874 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.795 -12.971 -2.085 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.919 -12.170 -3.669 1.00 0.22 H new ATOM 0 HD13 LEU A 78 6.345 -12.963 -2.959 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.827 -11.970 -0.100 1.00 0.24 H new ATOM 0 HD22 LEU A 78 7.424 -11.901 -0.882 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.697 -10.422 -0.211 1.00 0.24 H new ATOM 1241 N SER A 79 7.745 -8.903 -5.619 1.00 0.18 N ATOM 1242 CA SER A 79 8.664 -8.013 -6.332 1.00 0.22 C ATOM 1243 C SER A 79 7.885 -6.865 -6.963 1.00 0.22 C ATOM 1244 O SER A 79 8.310 -5.709 -6.954 1.00 0.24 O ATOM 1245 CB SER A 79 9.439 -8.788 -7.403 1.00 0.27 C ATOM 1246 OG SER A 79 10.383 -7.959 -8.061 1.00 1.17 O ATOM 0 H SER A 79 7.754 -9.872 -5.938 1.00 0.18 H new ATOM 0 HA SER A 79 9.382 -7.604 -5.621 1.00 0.22 H new ATOM 0 HB2 SER A 79 9.952 -9.632 -6.943 1.00 0.27 H new ATOM 0 HB3 SER A 79 8.742 -9.198 -8.133 1.00 0.27 H new ATOM 0 HG SER A 79 10.862 -8.482 -8.737 1.00 1.17 H new ATOM 1252 N ALA A 80 6.724 -7.203 -7.479 1.00 0.20 N ATOM 1253 CA ALA A 80 5.828 -6.245 -8.092 1.00 0.22 C ATOM 1254 C ALA A 80 5.030 -5.469 -7.039 1.00 0.18 C ATOM 1255 O ALA A 80 4.194 -4.633 -7.378 1.00 0.19 O ATOM 1256 CB ALA A 80 4.911 -6.950 -9.071 1.00 0.27 C ATOM 0 H ALA A 80 6.371 -8.160 -7.485 1.00 0.20 H new ATOM 0 HA ALA A 80 6.425 -5.515 -8.639 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.240 -6.223 -9.529 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.507 -7.431 -9.846 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.326 -7.703 -8.544 1.00 0.27 H new ATOM 1262 N LEU A 81 5.280 -5.762 -5.759 1.00 0.14 N ATOM 1263 CA LEU A 81 4.445 -5.282 -4.658 1.00 0.13 C ATOM 1264 C LEU A 81 4.615 -3.779 -4.384 1.00 0.12 C ATOM 1265 O LEU A 81 4.252 -3.307 -3.313 1.00 0.11 O ATOM 1266 CB LEU A 81 4.734 -6.070 -3.376 1.00 0.13 C ATOM 1267 CG LEU A 81 3.507 -6.568 -2.610 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.469 -5.475 -2.437 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.898 -7.759 -3.315 1.00 0.19 C ATOM 0 H LEU A 81 6.067 -6.338 -5.459 1.00 0.14 H new ATOM 0 HA LEU A 81 3.413 -5.443 -4.969 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.353 -6.930 -3.632 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.324 -5.440 -2.710 1.00 0.13 H new ATOM 0 HG LEU A 81 3.839 -6.869 -1.616 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.614 -5.869 -1.888 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.905 -4.644 -1.882 1.00 0.16 H new ATOM 0 HD13 LEU A 81 2.142 -5.125 -3.416 1.00 0.16 H new ATOM 0 HD21 LEU A 81 2.026 -8.104 -2.760 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.596 -7.471 -4.322 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.632 -8.562 -3.372 1.00 0.19 H new ATOM 1281 N GLY A 82 5.139 -3.007 -5.328 1.00 0.12 N ATOM 1282 CA GLY A 82 5.293 -1.592 -5.047 1.00 0.12 C ATOM 1283 C GLY A 82 6.697 -1.174 -4.693 1.00 0.11 C ATOM 1284 O GLY A 82 6.864 -0.340 -3.805 1.00 0.12 O ATOM 0 H GLY A 82 5.449 -3.318 -6.248 1.00 0.12 H new ATOM 0 HA2 GLY A 82 4.967 -1.024 -5.918 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.629 -1.323 -4.225 1.00 0.12 H new ATOM 1288 N MET A 83 7.720 -1.756 -5.336 1.00 0.13 N ATOM 1289 CA MET A 83 9.088 -1.360 -5.011 1.00 0.15 C ATOM 1290 C MET A 83 9.374 0.069 -5.491 1.00 0.15 C ATOM 1291 O MET A 83 9.910 0.324 -6.569 1.00 0.19 O ATOM 1292 CB MET A 83 10.087 -2.352 -5.624 1.00 0.20 C ATOM 1293 CG MET A 83 9.950 -2.551 -7.125 1.00 0.49 C ATOM 1294 SD MET A 83 11.053 -3.834 -7.747 1.00 0.97 S ATOM 1295 CE MET A 83 12.641 -3.223 -7.184 1.00 1.79 C ATOM 0 H MET A 83 7.629 -2.474 -6.055 1.00 0.13 H new ATOM 0 HA MET A 83 9.203 -1.376 -3.927 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.098 -2.007 -5.408 1.00 0.20 H new ATOM 0 HB3 MET A 83 9.968 -3.317 -5.132 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.919 -2.815 -7.362 1.00 0.49 H new ATOM 0 HG3 MET A 83 10.164 -1.612 -7.635 1.00 0.49 H new ATOM 0 HE1 MET A 83 13.440 -3.749 -7.707 1.00 1.79 H new ATOM 0 HE2 MET A 83 12.714 -2.155 -7.391 1.00 1.79 H new ATOM 0 HE3 MET A 83 12.736 -3.392 -6.111 1.00 1.79 H new ATOM 1305 N GLN A 84 8.975 0.970 -4.626 1.00 0.14 N ATOM 1306 CA GLN A 84 9.264 2.389 -4.627 1.00 0.15 C ATOM 1307 C GLN A 84 8.867 2.784 -3.228 1.00 0.16 C ATOM 1308 O GLN A 84 8.395 1.897 -2.526 1.00 0.16 O ATOM 1309 CB GLN A 84 8.483 3.145 -5.710 1.00 0.16 C ATOM 1310 CG GLN A 84 7.200 2.456 -6.138 1.00 0.61 C ATOM 1311 CD GLN A 84 6.678 2.956 -7.469 1.00 1.08 C ATOM 1312 OE1 GLN A 84 6.852 4.118 -7.826 1.00 1.79 O ATOM 1313 NE2 GLN A 84 6.044 2.069 -8.218 1.00 1.61 N ATOM 0 H GLN A 84 8.389 0.709 -3.833 1.00 0.14 H new ATOM 0 HA GLN A 84 10.300 2.629 -4.865 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.243 4.142 -5.341 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.123 3.274 -6.583 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.374 1.382 -6.202 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.438 2.610 -5.374 1.00 0.61 H new ATOM 0 HE21 GLN A 84 5.921 1.113 -7.883 1.00 1.61 H new ATOM 0 HE22 GLN A 84 5.678 2.341 -9.130 1.00 1.61 H new ATOM 1322 N ASN A 85 9.062 4.005 -2.747 1.00 0.17 N ATOM 1323 CA ASN A 85 8.516 4.284 -1.420 1.00 0.17 C ATOM 1324 C ASN A 85 7.023 4.011 -1.470 1.00 0.16 C ATOM 1325 O ASN A 85 6.267 4.784 -2.029 1.00 0.18 O ATOM 1326 CB ASN A 85 8.759 5.739 -0.969 1.00 0.19 C ATOM 1327 CG ASN A 85 8.255 6.769 -1.961 1.00 0.28 C ATOM 1328 OD1 ASN A 85 8.213 6.526 -3.163 1.00 1.22 O ATOM 1329 ND2 ASN A 85 7.877 7.936 -1.463 1.00 0.99 N ATOM 0 H ASN A 85 9.555 4.768 -3.211 1.00 0.17 H new ATOM 0 HA ASN A 85 9.021 3.645 -0.696 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.269 5.900 -0.009 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.827 5.889 -0.812 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.537 8.670 -2.085 1.00 0.99 H new ATOM 0 HD22 ASN A 85 7.926 8.101 -0.458 1.00 0.99 H new ATOM 1336 N GLY A 86 6.641 2.899 -0.852 1.00 0.15 N ATOM 1337 CA GLY A 86 5.262 2.465 -0.711 1.00 0.14 C ATOM 1338 C GLY A 86 4.449 2.327 -2.003 1.00 0.12 C ATOM 1339 O GLY A 86 3.502 1.556 -2.032 1.00 0.13 O ATOM 0 H GLY A 86 7.307 2.256 -0.423 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.259 1.501 -0.202 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.748 3.171 -0.059 1.00 0.14 H new ATOM 1343 N CYS A 87 4.844 3.052 -3.047 1.00 0.11 N ATOM 1344 CA CYS A 87 4.103 3.206 -4.302 1.00 0.12 C ATOM 1345 C CYS A 87 2.706 3.791 -4.084 1.00 0.12 C ATOM 1346 O CYS A 87 2.543 4.750 -3.330 1.00 0.17 O ATOM 1347 CB CYS A 87 4.045 1.921 -5.120 1.00 0.23 C ATOM 1348 SG CYS A 87 3.011 0.592 -4.467 1.00 0.94 S ATOM 0 H CYS A 87 5.723 3.569 -3.044 1.00 0.11 H new ATOM 0 HA CYS A 87 4.670 3.927 -4.891 1.00 0.12 H new ATOM 0 HB2 CYS A 87 3.689 2.170 -6.120 1.00 0.23 H new ATOM 0 HB3 CYS A 87 5.061 1.540 -5.229 1.00 0.23 H new ATOM 0 HG CYS A 87 3.029 0.627 -3.168 1.00 0.94 H new ATOM 1354 N ARG A 88 1.704 3.246 -4.771 1.00 0.12 N ATOM 1355 CA ARG A 88 0.333 3.723 -4.628 1.00 0.13 C ATOM 1356 C ARG A 88 -0.607 2.547 -4.398 1.00 0.12 C ATOM 1357 O ARG A 88 -0.322 1.434 -4.836 1.00 0.15 O ATOM 1358 CB ARG A 88 -0.147 4.482 -5.868 1.00 0.19 C ATOM 1359 CG ARG A 88 0.746 5.615 -6.338 1.00 0.82 C ATOM 1360 CD ARG A 88 1.820 5.120 -7.291 1.00 0.41 C ATOM 1361 NE ARG A 88 2.386 6.209 -8.078 1.00 0.90 N ATOM 1362 CZ ARG A 88 3.576 6.164 -8.660 1.00 1.29 C ATOM 1363 NH1 ARG A 88 4.326 5.072 -8.569 1.00 1.26 N ATOM 1364 NH2 ARG A 88 4.005 7.209 -9.352 1.00 2.07 N ATOM 0 H ARG A 88 1.817 2.476 -5.430 1.00 0.12 H new ATOM 0 HA ARG A 88 0.323 4.402 -3.776 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.258 3.770 -6.686 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -1.137 4.888 -5.661 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.141 6.375 -6.833 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.214 6.092 -5.477 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.612 4.631 -6.724 1.00 0.41 H new ATOM 0 HD3 ARG A 88 1.396 4.370 -7.959 1.00 0.41 H new ATOM 0 HE ARG A 88 1.832 7.058 -8.188 1.00 0.90 H new ATOM 0 HH11 ARG A 88 3.987 4.262 -8.049 1.00 1.26 H new ATOM 0 HH12 ARG A 88 5.241 5.043 -9.019 1.00 1.26 H new ATOM 0 HH21 ARG A 88 3.421 8.041 -9.434 1.00 2.07 H new ATOM 0 HH22 ARG A 88 4.920 7.182 -9.803 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.695 2.807 -3.681 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.805 1.867 -3.503 1.00 0.11 C ATOM 1380 C VAL A 89 -4.083 2.650 -3.255 1.00 0.11 C ATOM 1381 O VAL A 89 -4.229 3.299 -2.219 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.584 0.888 -2.325 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.597 -0.207 -2.687 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -2.118 1.633 -1.092 1.00 0.18 C ATOM 0 H VAL A 89 -1.836 3.693 -3.196 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.872 1.272 -4.414 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.541 0.414 -2.107 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.467 -0.875 -1.836 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.977 -0.773 -3.538 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.638 0.240 -2.948 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.968 0.927 -0.275 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.179 2.142 -1.308 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.871 2.367 -0.804 1.00 0.18 H new ATOM 1394 N MET A 90 -5.009 2.640 -4.193 1.00 0.11 N ATOM 1395 CA MET A 90 -6.257 3.330 -3.931 1.00 0.12 C ATOM 1396 C MET A 90 -7.449 2.416 -4.034 1.00 0.12 C ATOM 1397 O MET A 90 -7.591 1.631 -4.967 1.00 0.13 O ATOM 1398 CB MET A 90 -6.434 4.619 -4.727 1.00 0.16 C ATOM 1399 CG MET A 90 -7.501 4.586 -5.813 1.00 0.68 C ATOM 1400 SD MET A 90 -6.951 3.803 -7.338 1.00 1.30 S ATOM 1401 CE MET A 90 -8.444 3.909 -8.318 1.00 1.92 C ATOM 0 H MET A 90 -4.931 2.185 -5.103 1.00 0.11 H new ATOM 0 HA MET A 90 -6.194 3.651 -2.891 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.675 5.423 -4.032 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.480 4.872 -5.189 1.00 0.16 H new ATOM 0 HG2 MET A 90 -8.375 4.055 -5.436 1.00 0.68 H new ATOM 0 HG3 MET A 90 -7.817 5.606 -6.031 1.00 0.68 H new ATOM 0 HE1 MET A 90 -8.183 3.948 -9.376 1.00 1.92 H new ATOM 0 HE2 MET A 90 -9.066 3.034 -8.130 1.00 1.92 H new ATOM 0 HE3 MET A 90 -8.994 4.810 -8.047 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.275 2.503 -3.028 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.430 1.663 -2.917 1.00 0.12 C ATOM 1413 C LEU A 91 -10.670 2.443 -3.265 1.00 0.14 C ATOM 1414 O LEU A 91 -10.886 3.554 -2.774 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.538 1.021 -1.517 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.721 1.930 -0.270 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.824 3.154 -0.288 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.179 2.335 -0.081 1.00 0.14 C ATOM 0 H LEU A 91 -8.163 3.163 -2.259 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.326 0.844 -3.629 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.377 0.326 -1.540 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.637 0.428 -1.359 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.415 1.327 0.585 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.000 3.747 0.609 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.781 2.840 -0.317 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.046 3.755 -1.170 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.269 2.970 0.800 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.521 2.882 -0.959 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.790 1.442 0.051 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.469 1.886 -4.139 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.712 2.515 -4.472 1.00 0.23 C ATOM 1432 C ILE A 92 -13.844 1.780 -3.803 1.00 0.23 C ATOM 1433 O ILE A 92 -14.131 0.624 -4.103 1.00 0.26 O ATOM 1434 CB ILE A 92 -12.949 2.586 -5.995 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.816 3.355 -6.679 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -14.295 3.239 -6.295 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -11.972 3.450 -8.179 1.00 0.51 C ATOM 0 H ILE A 92 -11.281 1.009 -4.625 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.669 3.542 -4.110 1.00 0.23 H new ATOM 0 HB ILE A 92 -12.962 1.570 -6.390 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.767 4.361 -6.262 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.868 2.869 -6.450 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.447 3.281 -7.374 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.093 2.653 -5.839 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.308 4.250 -5.887 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -11.134 4.008 -8.597 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.991 2.448 -8.607 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.904 3.963 -8.416 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.454 2.464 -2.872 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.573 1.915 -2.164 1.00 0.28 C ATOM 1451 C GLY A 93 -15.801 2.649 -0.875 1.00 0.30 C ATOM 1452 O GLY A 93 -16.534 3.638 -0.836 1.00 0.45 O ATOM 0 H GLY A 93 -14.191 3.407 -2.587 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.467 1.975 -2.785 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.397 0.859 -1.960 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.133 2.207 0.174 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.355 2.779 1.475 1.00 0.26 C ATOM 1458 C GLU A 94 -14.102 2.755 2.336 1.00 0.24 C ATOM 1459 O GLU A 94 -13.573 1.695 2.657 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.469 2.012 2.173 1.00 0.32 C ATOM 1461 CG GLU A 94 -17.316 2.890 3.066 1.00 0.98 C ATOM 1462 CD GLU A 94 -17.847 4.100 2.328 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -18.942 4.010 1.737 1.00 2.02 O ATOM 1464 OE2 GLU A 94 -17.171 5.152 2.336 1.00 2.17 O ATOM 0 H GLU A 94 -14.439 1.460 0.145 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.636 3.823 1.338 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -17.106 1.543 1.423 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.033 1.209 2.768 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -18.151 2.310 3.460 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -16.724 3.217 3.921 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.631 3.932 2.703 1.00 0.25 N ATOM 1472 CA LYS A 95 -12.614 4.054 3.731 1.00 0.26 C ATOM 1473 C LYS A 95 -13.301 4.318 5.056 1.00 0.39 C ATOM 1474 O LYS A 95 -13.051 5.324 5.717 1.00 0.48 O ATOM 1475 CB LYS A 95 -11.634 5.183 3.433 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.408 4.767 2.639 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.360 5.864 2.681 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.083 5.476 1.961 1.00 0.35 C ATOM 1479 NZ LYS A 95 -7.110 6.601 1.966 1.00 1.19 N ATOM 0 H LYS A 95 -13.937 4.819 2.304 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.043 3.126 3.764 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.158 5.965 2.883 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.308 5.621 4.376 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -9.996 3.845 3.048 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.688 4.560 1.606 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -9.767 6.768 2.229 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.130 6.102 3.719 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.640 4.604 2.442 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.312 5.192 0.934 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.735 6.740 1.006 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.586 7.470 2.280 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -6.328 6.381 2.615 1.00 1.19 H new ATOM 1493 N SER A 96 -14.183 3.411 5.423 1.00 0.46 N ATOM 1494 CA SER A 96 -15.010 3.588 6.600 1.00 0.65 C ATOM 1495 C SER A 96 -14.205 3.336 7.871 1.00 0.80 C ATOM 1496 O SER A 96 -13.981 2.191 8.259 1.00 0.99 O ATOM 1497 CB SER A 96 -16.212 2.645 6.537 1.00 0.74 C ATOM 1498 OG SER A 96 -17.213 3.016 7.473 1.00 1.30 O ATOM 0 H SER A 96 -14.346 2.539 4.920 1.00 0.46 H new ATOM 0 HA SER A 96 -15.366 4.618 6.623 1.00 0.65 H new ATOM 0 HB2 SER A 96 -16.631 2.655 5.531 1.00 0.74 H new ATOM 0 HB3 SER A 96 -15.886 1.624 6.737 1.00 0.74 H new ATOM 0 HG SER A 96 -17.969 2.395 7.407 1.00 1.30 H new ATOM 1504 N ASN A 97 -13.749 4.411 8.494 1.00 1.03 N ATOM 1505 CA ASN A 97 -13.072 4.312 9.777 1.00 1.27 C ATOM 1506 C ASN A 97 -14.076 3.958 10.863 1.00 1.85 C ATOM 1507 O ASN A 97 -14.065 2.798 11.328 1.00 2.21 O ATOM 1508 CB ASN A 97 -12.357 5.622 10.118 1.00 1.62 C ATOM 1509 CG ASN A 97 -11.765 5.611 11.515 1.00 1.97 C ATOM 1510 OD1 ASN A 97 -12.387 6.071 12.473 1.00 2.51 O ATOM 1511 ND2 ASN A 97 -10.563 5.075 11.645 1.00 2.63 N ATOM 1512 OXT ASN A 97 -14.907 4.823 11.207 1.00 2.58 O ATOM 0 H ASN A 97 -13.835 5.361 8.133 1.00 1.03 H new ATOM 0 HA ASN A 97 -12.321 3.524 9.715 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -11.564 5.800 9.392 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -13.060 6.450 10.031 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -10.120 5.032 12.563 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -10.079 4.704 10.827 1.00 2.63 H new TER 1519 ASN A 97