USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 738 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 108 LYS NZ :NH3+ -123:sc= 1.24 (180deg=-0.0116) USER MOD Set 1.2: A 110 ASN : amide:sc= 1.03 K(o=2.3,f=-12!) USER MOD Set 2.1: A 72 HIS : no HE2:sc= -4.93! C(o=-7.4!,f=-8.2!) USER MOD Set 2.2: A 74 HIS : no HD1:sc= -2.49 K(o=-7.4,f=-9.8!) USER MOD Set 3.1: A 55 ASN : amide:sc= 0.235 K(o=1.2,f=-4!) USER MOD Set 3.2: A 57 TYR OH : rot -22:sc= 0.969 USER MOD Set 4.1: A 45 SER OG : rot -147:sc= -0.817 USER MOD Set 4.2: A 83 HIS : no HD1:sc= -11.5! C(o=-12!,f=-17!) USER MOD Set 5.1: A 37 TYR OH : rot -110:sc= -6.17! USER MOD Set 5.2: A 90 MET CE :methyl 169:sc= -3.13 (180deg=-3.96!) USER MOD Set 6.1: A 31 THR OG1 : rot -100:sc= -0.761 USER MOD Set 6.2: A 89 TYR OH : rot 180:sc= 1.04 USER MOD Set 7.1: A 6 THR OG1 : rot 5:sc= 0.0859! USER MOD Set 7.2: A 9 HIS : no HD1:sc= -3.43! C(o=-3.3!,f=-11!) USER MOD Single : A 3 HIS : no HE2:sc= -9.04! C(o=-9!,f=-9.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.127) USER MOD Single : A 10 ASN : amide:sc= -4.14! C(o=-4.1!,f=-2.8!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.57 K(o=-1.6,f=0) USER MOD Single : A 28 SER OG : rot 69:sc= 0.687 USER MOD Single : A 29 ASN : amide:sc= -4.27! C(o=-4.3!,f=-3.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.401 USER MOD Single : A 42 THR OG1 : rot -167:sc= -2.09! USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= -0.107 (180deg=-0.522) USER MOD Single : A 47 ASN : amide:sc= -0.0811 K(o=-0.081,f=-0.76) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00646 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= -0.0661 (180deg=-0.113) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.076 USER MOD Single : A 86 ASN : amide:sc= -4.52! K(o=-4.5!,f=-0.47) USER MOD Single : A 88 THR OG1 : rot 108:sc= 1.19 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -16:sc= 0.773 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -6.050 -9.945 5.233 1.00 0.59 N ATOM 2 CA HIS A 3 -5.125 -9.075 5.926 1.00 0.46 C ATOM 3 C HIS A 3 -5.248 -7.681 5.340 1.00 0.43 C ATOM 4 O HIS A 3 -5.587 -7.536 4.170 1.00 0.47 O ATOM 5 CB HIS A 3 -3.691 -9.602 5.767 1.00 0.45 C ATOM 6 CG HIS A 3 -2.640 -8.574 6.035 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.501 -7.938 7.245 1.00 0.47 N ATOM 8 CD2 HIS A 3 -1.699 -8.052 5.222 1.00 0.45 C ATOM 9 CE1 HIS A 3 -1.530 -7.056 7.166 1.00 0.52 C ATOM 10 NE2 HIS A 3 -1.020 -7.102 5.946 1.00 0.51 N ATOM 0 HA HIS A 3 -5.359 -9.047 6.990 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.545 -10.443 6.445 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.564 -9.983 4.754 1.00 0.45 H new ATOM 0 HD1 HIS A 3 -3.064 -8.122 8.075 1.00 0.47 H new ATOM 0 HD2 HIS A 3 -1.514 -8.329 4.195 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -1.203 -6.404 7.962 1.00 0.52 H new ATOM 19 N LYS A 4 -4.984 -6.665 6.140 1.00 0.40 N ATOM 20 CA LYS A 4 -5.037 -5.300 5.661 1.00 0.39 C ATOM 21 C LYS A 4 -3.950 -4.445 6.300 1.00 0.35 C ATOM 22 O LYS A 4 -3.713 -4.517 7.504 1.00 0.43 O ATOM 23 CB LYS A 4 -6.409 -4.707 5.955 1.00 0.54 C ATOM 24 CG LYS A 4 -6.527 -3.246 5.566 1.00 0.90 C ATOM 25 CD LYS A 4 -7.835 -2.645 6.052 1.00 1.13 C ATOM 26 CE LYS A 4 -7.978 -1.193 5.631 1.00 1.92 C ATOM 27 NZ LYS A 4 -9.233 -0.592 6.153 1.00 2.36 N ATOM 0 H LYS A 4 -4.731 -6.761 7.123 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.865 -5.309 4.585 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -7.167 -5.280 5.421 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -6.622 -4.811 7.019 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -5.690 -2.688 5.986 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -6.462 -3.150 4.482 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -8.670 -3.223 5.656 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -7.886 -2.715 7.139 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -7.123 -0.623 5.994 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -7.967 -1.126 4.543 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -9.297 0.400 5.846 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -10.050 -1.121 5.787 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -9.232 -0.633 7.192 1.00 2.36 H new ATOM 41 N VAL A 5 -3.270 -3.657 5.483 1.00 0.31 N ATOM 42 CA VAL A 5 -2.301 -2.703 5.983 1.00 0.33 C ATOM 43 C VAL A 5 -2.845 -1.276 5.888 1.00 0.27 C ATOM 44 O VAL A 5 -3.737 -0.990 5.091 1.00 0.29 O ATOM 45 CB VAL A 5 -0.919 -2.861 5.285 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.184 -1.543 5.153 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.077 -3.840 6.076 1.00 0.49 C ATOM 0 H VAL A 5 -3.374 -3.662 4.468 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.133 -2.916 7.039 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.094 -3.232 4.275 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.774 -1.708 4.660 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -0.782 -0.850 4.561 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.014 -1.120 6.143 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.894 -3.957 5.594 1.00 0.49 H new ATOM 0 HG22 VAL A 5 0.064 -3.463 7.089 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.582 -4.805 6.115 1.00 0.49 H new ATOM 57 N THR A 6 -2.296 -0.410 6.724 1.00 0.41 N ATOM 58 CA THR A 6 -2.770 0.946 6.920 1.00 0.33 C ATOM 59 C THR A 6 -1.576 1.839 7.223 1.00 0.37 C ATOM 60 O THR A 6 -0.471 1.325 7.389 1.00 0.51 O ATOM 61 CB THR A 6 -3.794 1.008 8.063 1.00 0.36 C ATOM 62 OG1 THR A 6 -3.454 0.030 9.060 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.206 0.760 7.541 1.00 0.36 C ATOM 0 H THR A 6 -1.486 -0.639 7.300 1.00 0.41 H new ATOM 0 HA THR A 6 -3.269 1.291 6.014 1.00 0.33 H new ATOM 0 HB THR A 6 -3.769 2.004 8.506 1.00 0.36 H new ATOM 0 HG1 THR A 6 -2.607 -0.400 8.821 1.00 0.51 H new ATOM 0 HG21 THR A 6 -5.914 0.809 8.369 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.459 1.520 6.802 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.255 -0.226 7.079 1.00 0.36 H new ATOM 71 N LYS A 7 -1.774 3.150 7.251 1.00 0.30 N ATOM 72 CA LYS A 7 -0.670 4.104 7.398 1.00 0.28 C ATOM 73 C LYS A 7 0.296 3.745 8.544 1.00 0.27 C ATOM 74 O LYS A 7 1.502 3.903 8.397 1.00 0.32 O ATOM 75 CB LYS A 7 -1.219 5.517 7.602 1.00 0.27 C ATOM 76 CG LYS A 7 -0.152 6.605 7.649 1.00 0.28 C ATOM 77 CD LYS A 7 0.838 6.487 6.497 1.00 0.42 C ATOM 78 CE LYS A 7 1.716 7.728 6.377 1.00 0.35 C ATOM 79 NZ LYS A 7 2.337 8.122 7.671 1.00 0.83 N ATOM 0 H LYS A 7 -2.694 3.585 7.174 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.093 4.056 6.474 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -1.916 5.743 6.795 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.788 5.542 8.531 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.631 7.584 7.616 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.385 6.545 8.596 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.467 5.610 6.647 1.00 0.42 H new ATOM 0 HD3 LYS A 7 0.295 6.334 5.565 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.501 7.543 5.644 1.00 0.35 H new ATOM 0 HE3 LYS A 7 1.117 8.557 6.000 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 3.050 8.860 7.503 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 1.603 8.488 8.311 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 2.792 7.293 8.104 1.00 0.83 H new ATOM 93 N ALA A 8 -0.217 3.271 9.677 1.00 0.25 N ATOM 94 CA ALA A 8 0.645 2.881 10.800 1.00 0.26 C ATOM 95 C ALA A 8 1.589 1.751 10.394 1.00 0.23 C ATOM 96 O ALA A 8 2.765 1.709 10.791 1.00 0.24 O ATOM 97 CB ALA A 8 -0.193 2.453 11.992 1.00 0.33 C ATOM 0 H ALA A 8 -1.215 3.147 9.845 1.00 0.25 H new ATOM 0 HA ALA A 8 1.242 3.748 11.082 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.463 2.168 12.814 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -0.829 3.281 12.306 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.815 1.603 11.713 1.00 0.33 H new ATOM 103 N HIS A 9 1.080 0.867 9.551 1.00 0.23 N ATOM 104 CA HIS A 9 1.841 -0.273 9.060 1.00 0.23 C ATOM 105 C HIS A 9 3.033 0.180 8.215 1.00 0.23 C ATOM 106 O HIS A 9 3.834 -0.646 7.776 1.00 0.25 O ATOM 107 CB HIS A 9 0.952 -1.202 8.241 1.00 0.28 C ATOM 108 CG HIS A 9 0.043 -2.087 9.045 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.333 -2.006 8.995 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.318 -3.148 9.836 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.854 -2.986 9.702 1.00 1.69 C ATOM 112 NE2 HIS A 9 -0.876 -3.692 10.232 1.00 2.12 N ATOM 0 H HIS A 9 0.128 0.918 9.187 1.00 0.23 H new ATOM 0 HA HIS A 9 2.218 -0.815 9.928 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.343 -0.597 7.569 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.587 -1.831 7.617 1.00 0.28 H new ATOM 0 HD2 HIS A 9 1.301 -3.503 10.107 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -2.909 -3.180 9.827 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -0.989 -4.507 10.836 1.00 2.12 H new ATOM 121 N ASN A 10 3.134 1.501 8.000 1.00 0.22 N ATOM 122 CA ASN A 10 4.298 2.129 7.362 1.00 0.24 C ATOM 123 C ASN A 10 5.595 1.620 7.992 1.00 0.24 C ATOM 124 O ASN A 10 6.661 1.678 7.380 1.00 0.26 O ATOM 125 CB ASN A 10 4.211 3.662 7.499 1.00 0.31 C ATOM 126 CG ASN A 10 5.474 4.388 7.055 1.00 0.56 C ATOM 127 OD1 ASN A 10 6.395 4.589 7.843 1.00 1.41 O ATOM 128 ND2 ASN A 10 5.511 4.818 5.804 1.00 0.96 N ATOM 0 H ASN A 10 2.407 2.165 8.266 1.00 0.22 H new ATOM 0 HA ASN A 10 4.299 1.865 6.305 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.368 4.024 6.910 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.004 3.914 8.539 1.00 0.31 H new ATOM 0 HD21 ASN A 10 6.323 5.335 5.466 1.00 0.96 H new ATOM 0 HD22 ASN A 10 4.728 4.633 5.178 1.00 0.96 H new ATOM 135 N GLY A 11 5.480 1.106 9.209 1.00 0.25 N ATOM 136 CA GLY A 11 6.620 0.532 9.890 1.00 0.26 C ATOM 137 C GLY A 11 6.235 -0.722 10.639 1.00 0.25 C ATOM 138 O GLY A 11 6.446 -0.825 11.846 1.00 0.30 O ATOM 0 H GLY A 11 4.609 1.077 9.739 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.401 0.301 9.166 1.00 0.26 H new ATOM 0 HA3 GLY A 11 7.036 1.261 10.586 1.00 0.26 H new ATOM 142 N ALA A 12 5.637 -1.668 9.929 1.00 0.24 N ATOM 143 CA ALA A 12 5.115 -2.871 10.563 1.00 0.27 C ATOM 144 C ALA A 12 5.806 -4.146 10.082 1.00 0.28 C ATOM 145 O ALA A 12 6.436 -4.173 9.023 1.00 0.31 O ATOM 146 CB ALA A 12 3.631 -2.963 10.297 1.00 0.32 C ATOM 0 H ALA A 12 5.501 -1.627 8.919 1.00 0.24 H new ATOM 0 HA ALA A 12 5.313 -2.791 11.632 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.232 -3.861 10.768 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.133 -2.085 10.708 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.456 -3.009 9.222 1.00 0.32 H new ATOM 152 N THR A 13 5.674 -5.200 10.884 1.00 0.39 N ATOM 153 CA THR A 13 6.168 -6.532 10.545 1.00 0.44 C ATOM 154 C THR A 13 5.306 -7.591 11.246 1.00 0.56 C ATOM 155 O THR A 13 5.256 -7.637 12.475 1.00 0.95 O ATOM 156 CB THR A 13 7.645 -6.710 10.962 1.00 0.71 C ATOM 157 OG1 THR A 13 8.437 -5.633 10.439 1.00 0.89 O ATOM 158 CG2 THR A 13 8.198 -8.034 10.455 1.00 0.74 C ATOM 0 H THR A 13 5.217 -5.153 11.795 1.00 0.39 H new ATOM 0 HA THR A 13 6.105 -6.653 9.464 1.00 0.44 H new ATOM 0 HB THR A 13 7.691 -6.705 12.051 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.371 -5.753 10.709 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.239 -8.135 10.762 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.615 -8.855 10.872 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.136 -8.061 9.367 1.00 0.74 H new ATOM 166 N LEU A 14 4.620 -8.426 10.467 1.00 0.39 N ATOM 167 CA LEU A 14 3.658 -9.379 11.018 1.00 0.70 C ATOM 168 C LEU A 14 3.300 -10.463 9.998 1.00 0.35 C ATOM 169 O LEU A 14 3.636 -10.349 8.823 1.00 0.88 O ATOM 170 CB LEU A 14 2.406 -8.629 11.495 1.00 1.51 C ATOM 171 CG LEU A 14 1.663 -7.819 10.433 1.00 2.04 C ATOM 172 CD1 LEU A 14 0.755 -8.719 9.617 1.00 2.43 C ATOM 173 CD2 LEU A 14 0.868 -6.698 11.078 1.00 3.00 C ATOM 0 H LEU A 14 4.713 -8.462 9.452 1.00 0.39 H new ATOM 0 HA LEU A 14 4.113 -9.882 11.871 1.00 0.70 H new ATOM 0 HB2 LEU A 14 1.713 -9.354 11.921 1.00 1.51 H new ATOM 0 HB3 LEU A 14 2.696 -7.954 12.301 1.00 1.51 H new ATOM 0 HG LEU A 14 2.398 -7.375 9.761 1.00 2.04 H new ATOM 0 HD11 LEU A 14 0.234 -8.125 8.866 1.00 2.43 H new ATOM 0 HD12 LEU A 14 1.351 -9.486 9.124 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.026 -9.193 10.274 1.00 2.43 H new ATOM 0 HD21 LEU A 14 0.346 -6.132 10.307 1.00 3.00 H new ATOM 0 HD22 LEU A 14 0.142 -7.120 11.773 1.00 3.00 H new ATOM 0 HD23 LEU A 14 1.545 -6.036 11.618 1.00 3.00 H new ATOM 185 N THR A 15 2.628 -11.513 10.451 1.00 0.70 N ATOM 186 CA THR A 15 2.217 -12.601 9.574 1.00 0.74 C ATOM 187 C THR A 15 0.729 -12.504 9.238 1.00 0.82 C ATOM 188 O THR A 15 -0.078 -12.070 10.061 1.00 1.21 O ATOM 189 CB THR A 15 2.492 -13.976 10.213 1.00 1.40 C ATOM 190 OG1 THR A 15 3.902 -14.161 10.391 1.00 1.55 O ATOM 191 CG2 THR A 15 1.928 -15.095 9.349 1.00 1.73 C ATOM 0 H THR A 15 2.355 -11.634 11.426 1.00 0.70 H new ATOM 0 HA THR A 15 2.805 -12.507 8.661 1.00 0.74 H new ATOM 0 HB THR A 15 2.000 -14.008 11.185 1.00 1.40 H new ATOM 0 HG1 THR A 15 4.068 -15.036 10.799 1.00 1.55 H new ATOM 0 HG21 THR A 15 2.134 -16.057 9.819 1.00 1.73 H new ATOM 0 HG22 THR A 15 0.851 -14.966 9.244 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.395 -15.065 8.365 1.00 1.73 H new ATOM 199 N VAL A 16 0.385 -12.908 8.020 1.00 0.57 N ATOM 200 CA VAL A 16 -0.984 -12.854 7.543 1.00 0.64 C ATOM 201 C VAL A 16 -1.440 -14.240 7.096 1.00 0.59 C ATOM 202 O VAL A 16 -0.616 -15.127 6.882 1.00 0.59 O ATOM 203 CB VAL A 16 -1.105 -11.873 6.359 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.298 -10.626 6.652 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.662 -12.502 5.053 1.00 0.63 C ATOM 0 H VAL A 16 1.048 -13.280 7.340 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.617 -12.508 8.360 1.00 0.64 H new ATOM 0 HB VAL A 16 -2.156 -11.609 6.243 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.383 -9.933 5.815 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.677 -10.151 7.557 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.749 -10.895 6.795 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.764 -11.776 4.246 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.380 -12.811 5.133 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -1.283 -13.372 4.839 1.00 0.63 H new ATOM 215 N ALA A 17 -2.742 -14.431 6.981 1.00 0.63 N ATOM 216 CA ALA A 17 -3.287 -15.626 6.364 1.00 0.60 C ATOM 217 C ALA A 17 -4.022 -15.228 5.094 1.00 0.55 C ATOM 218 O ALA A 17 -4.992 -14.479 5.152 1.00 0.76 O ATOM 219 CB ALA A 17 -4.227 -16.326 7.328 1.00 0.75 C ATOM 0 H ALA A 17 -3.445 -13.769 7.309 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.482 -16.317 6.115 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.631 -17.222 6.856 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.682 -16.605 8.230 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -5.044 -15.655 7.592 1.00 0.75 H new ATOM 225 N VAL A 18 -3.552 -15.703 3.952 1.00 0.54 N ATOM 226 CA VAL A 18 -4.114 -15.272 2.678 1.00 0.50 C ATOM 227 C VAL A 18 -5.206 -16.215 2.189 1.00 0.49 C ATOM 228 O VAL A 18 -5.511 -17.221 2.829 1.00 0.59 O ATOM 229 CB VAL A 18 -3.037 -15.152 1.583 1.00 0.58 C ATOM 230 CG1 VAL A 18 -1.948 -14.181 1.996 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.451 -16.510 1.240 1.00 1.12 C ATOM 0 H VAL A 18 -2.792 -16.379 3.878 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.546 -14.289 2.863 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.517 -14.759 0.687 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -1.201 -14.115 1.205 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.384 -13.197 2.167 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.476 -14.533 2.913 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.694 -16.394 0.465 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -1.996 -16.945 2.130 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -3.242 -17.167 0.879 1.00 1.12 H new ATOM 241 N GLY A 19 -5.787 -15.871 1.049 1.00 0.52 N ATOM 242 CA GLY A 19 -6.829 -16.693 0.464 1.00 0.55 C ATOM 243 C GLY A 19 -7.976 -15.855 -0.045 1.00 0.59 C ATOM 244 O GLY A 19 -8.375 -15.978 -1.205 1.00 0.71 O ATOM 0 H GLY A 19 -5.555 -15.033 0.516 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.414 -17.279 -0.356 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -7.196 -17.400 1.208 1.00 0.55 H new ATOM 248 N GLU A 20 -8.503 -15.001 0.822 1.00 0.57 N ATOM 249 CA GLU A 20 -9.526 -14.045 0.427 1.00 0.64 C ATOM 250 C GLU A 20 -8.877 -12.877 -0.306 1.00 0.50 C ATOM 251 O GLU A 20 -8.996 -12.747 -1.525 1.00 0.50 O ATOM 252 CB GLU A 20 -10.291 -13.514 1.648 1.00 0.76 C ATOM 253 CG GLU A 20 -10.890 -14.597 2.529 1.00 0.96 C ATOM 254 CD GLU A 20 -11.730 -14.025 3.655 1.00 1.55 C ATOM 255 OE1 GLU A 20 -11.166 -13.697 4.720 1.00 2.35 O ATOM 256 OE2 GLU A 20 -12.960 -13.909 3.487 1.00 1.75 O ATOM 0 H GLU A 20 -8.237 -14.952 1.806 1.00 0.57 H new ATOM 0 HA GLU A 20 -10.232 -14.554 -0.229 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.615 -12.905 2.249 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -11.091 -12.858 1.304 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -11.506 -15.259 1.920 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -10.089 -15.205 2.949 1.00 0.96 H new ATOM 263 N LEU A 21 -8.179 -12.039 0.449 1.00 0.45 N ATOM 264 CA LEU A 21 -7.527 -10.862 -0.104 1.00 0.32 C ATOM 265 C LEU A 21 -6.566 -10.247 0.906 1.00 0.38 C ATOM 266 O LEU A 21 -6.952 -9.973 2.042 1.00 0.64 O ATOM 267 CB LEU A 21 -8.578 -9.829 -0.511 1.00 0.39 C ATOM 268 CG LEU A 21 -8.034 -8.473 -0.956 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.132 -8.629 -2.168 1.00 0.56 C ATOM 270 CD2 LEU A 21 -9.179 -7.523 -1.260 1.00 0.71 C ATOM 0 H LEU A 21 -8.050 -12.155 1.454 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.957 -11.167 -0.981 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.175 -10.245 -1.323 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -9.252 -9.671 0.331 1.00 0.39 H new ATOM 0 HG LEU A 21 -7.441 -8.054 -0.144 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -6.755 -7.652 -2.469 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.294 -9.280 -1.917 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -7.699 -9.068 -2.989 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -8.778 -6.560 -1.576 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -9.795 -7.939 -2.057 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -9.786 -7.387 -0.365 1.00 0.71 H new ATOM 282 N VAL A 22 -5.327 -10.010 0.499 1.00 0.27 N ATOM 283 CA VAL A 22 -4.378 -9.342 1.371 1.00 0.28 C ATOM 284 C VAL A 22 -4.193 -7.894 0.919 1.00 0.30 C ATOM 285 O VAL A 22 -3.713 -7.616 -0.178 1.00 0.37 O ATOM 286 CB VAL A 22 -3.030 -10.111 1.471 1.00 0.28 C ATOM 287 CG1 VAL A 22 -1.850 -9.165 1.650 1.00 0.40 C ATOM 288 CG2 VAL A 22 -3.092 -11.080 2.635 1.00 0.38 C ATOM 0 H VAL A 22 -4.961 -10.267 -0.418 1.00 0.27 H new ATOM 0 HA VAL A 22 -4.784 -9.333 2.382 1.00 0.28 H new ATOM 0 HB VAL A 22 -2.879 -10.653 0.537 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -0.928 -9.742 1.716 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -1.794 -8.487 0.798 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -1.982 -8.587 2.565 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -2.149 -11.621 2.709 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.267 -10.528 3.559 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -3.905 -11.788 2.476 1.00 0.38 H new ATOM 298 N GLU A 23 -4.614 -6.975 1.770 1.00 0.29 N ATOM 299 CA GLU A 23 -4.674 -5.573 1.405 1.00 0.36 C ATOM 300 C GLU A 23 -3.533 -4.783 2.012 1.00 0.27 C ATOM 301 O GLU A 23 -3.081 -5.055 3.125 1.00 0.37 O ATOM 302 CB GLU A 23 -5.984 -4.954 1.880 1.00 0.58 C ATOM 303 CG GLU A 23 -7.232 -5.646 1.364 1.00 0.96 C ATOM 304 CD GLU A 23 -8.496 -4.972 1.856 1.00 0.99 C ATOM 305 OE1 GLU A 23 -8.650 -3.755 1.621 1.00 1.06 O ATOM 306 OE2 GLU A 23 -9.337 -5.647 2.483 1.00 1.09 O ATOM 0 H GLU A 23 -4.920 -7.177 2.722 1.00 0.29 H new ATOM 0 HA GLU A 23 -4.601 -5.529 0.318 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -6.002 -4.965 2.970 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -6.010 -3.909 1.572 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -7.222 -5.647 0.274 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -7.228 -6.688 1.684 1.00 0.96 H new ATOM 313 N ILE A 24 -3.076 -3.807 1.255 1.00 0.25 N ATOM 314 CA ILE A 24 -2.144 -2.809 1.737 1.00 0.24 C ATOM 315 C ILE A 24 -2.711 -1.441 1.401 1.00 0.29 C ATOM 316 O ILE A 24 -2.657 -1.012 0.259 1.00 0.54 O ATOM 317 CB ILE A 24 -0.760 -2.948 1.066 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.205 -4.368 1.238 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.200 -1.915 1.638 1.00 0.32 C ATOM 320 CD1 ILE A 24 0.071 -4.741 2.678 1.00 0.27 C ATOM 0 H ILE A 24 -3.344 -3.683 0.279 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.013 -2.941 2.811 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.872 -2.766 -0.003 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -0.915 -5.080 0.817 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.717 -4.460 0.664 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.174 -2.019 1.160 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.190 -0.914 1.453 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.304 -2.071 2.712 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.461 -5.758 2.722 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.804 -4.053 3.098 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -0.853 -4.682 3.253 1.00 0.27 H new ATOM 332 N GLN A 25 -3.268 -0.760 2.374 1.00 0.21 N ATOM 333 CA GLN A 25 -3.950 0.487 2.096 1.00 0.22 C ATOM 334 C GLN A 25 -3.251 1.671 2.744 1.00 0.20 C ATOM 335 O GLN A 25 -2.802 1.599 3.886 1.00 0.23 O ATOM 336 CB GLN A 25 -5.415 0.396 2.542 1.00 0.27 C ATOM 337 CG GLN A 25 -6.126 1.730 2.583 1.00 0.29 C ATOM 338 CD GLN A 25 -6.353 2.244 3.997 1.00 0.36 C ATOM 339 OE1 GLN A 25 -7.384 1.959 4.606 1.00 0.64 O ATOM 340 NE2 GLN A 25 -5.401 2.993 4.533 1.00 0.30 N ATOM 0 H GLN A 25 -3.265 -1.041 3.354 1.00 0.21 H new ATOM 0 HA GLN A 25 -3.921 0.654 1.019 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -5.950 -0.269 1.865 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.456 -0.057 3.532 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.542 2.463 2.026 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.088 1.638 2.078 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -4.560 3.209 3.998 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -5.509 3.354 5.481 1.00 0.30 H new ATOM 349 N LEU A 26 -3.167 2.759 2.000 1.00 0.19 N ATOM 350 CA LEU A 26 -2.645 4.003 2.520 1.00 0.18 C ATOM 351 C LEU A 26 -3.741 5.050 2.500 1.00 0.22 C ATOM 352 O LEU A 26 -4.581 5.062 1.607 1.00 0.31 O ATOM 353 CB LEU A 26 -1.434 4.502 1.726 1.00 0.22 C ATOM 354 CG LEU A 26 -0.076 3.948 2.173 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.176 4.258 3.639 1.00 0.77 C ATOM 356 CD2 LEU A 26 0.018 2.454 1.915 1.00 0.85 C ATOM 0 H LEU A 26 -3.458 2.802 1.023 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.309 3.824 3.541 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.581 4.250 0.676 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.402 5.590 1.791 1.00 0.22 H new ATOM 0 HG LEU A 26 0.697 4.439 1.582 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.145 3.856 3.935 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.170 5.338 3.789 1.00 0.77 H new ATOM 0 HD13 LEU A 26 -0.606 3.803 4.247 1.00 0.77 H new ATOM 0 HD21 LEU A 26 0.992 2.089 2.242 1.00 0.85 H new ATOM 0 HD22 LEU A 26 -0.767 1.939 2.469 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.103 2.261 0.849 1.00 0.85 H new ATOM 368 N PRO A 27 -3.765 5.925 3.496 1.00 0.21 N ATOM 369 CA PRO A 27 -4.767 6.979 3.603 1.00 0.25 C ATOM 370 C PRO A 27 -4.372 8.215 2.819 1.00 0.26 C ATOM 371 O PRO A 27 -4.942 9.279 3.014 1.00 0.35 O ATOM 372 CB PRO A 27 -4.738 7.298 5.082 1.00 0.27 C ATOM 373 CG PRO A 27 -3.298 7.140 5.425 1.00 0.25 C ATOM 374 CD PRO A 27 -2.823 5.962 4.624 1.00 0.22 C ATOM 0 HA PRO A 27 -5.739 6.674 3.214 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -5.094 8.308 5.285 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.367 6.617 5.655 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.734 8.038 5.174 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.165 6.968 6.493 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.795 6.092 4.287 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -2.854 5.040 5.205 1.00 0.22 H new ATOM 382 N SER A 28 -3.366 8.059 1.966 1.00 0.22 N ATOM 383 CA SER A 28 -2.831 9.147 1.160 1.00 0.25 C ATOM 384 C SER A 28 -2.092 10.171 2.030 1.00 0.25 C ATOM 385 O SER A 28 -0.870 10.279 1.960 1.00 0.31 O ATOM 386 CB SER A 28 -3.945 9.806 0.326 1.00 0.35 C ATOM 387 OG SER A 28 -3.408 10.688 -0.642 1.00 0.91 O ATOM 0 H SER A 28 -2.896 7.167 1.814 1.00 0.22 H new ATOM 0 HA SER A 28 -2.101 8.730 0.466 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.536 9.035 -0.169 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.620 10.352 0.984 1.00 0.35 H new ATOM 0 HG SER A 28 -2.938 10.172 -1.330 1.00 0.91 H new ATOM 393 N ASN A 29 -2.830 10.847 2.894 1.00 0.29 N ATOM 394 CA ASN A 29 -2.297 11.929 3.740 1.00 0.36 C ATOM 395 C ASN A 29 -1.714 13.032 2.863 1.00 0.42 C ATOM 396 O ASN A 29 -0.493 13.158 2.762 1.00 0.48 O ATOM 397 CB ASN A 29 -1.186 11.453 4.683 1.00 0.42 C ATOM 398 CG ASN A 29 -1.392 10.077 5.282 1.00 0.60 C ATOM 399 OD1 ASN A 29 -2.106 9.916 6.271 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.717 9.083 4.714 1.00 0.39 N ATOM 0 H ASN A 29 -3.824 10.668 3.038 1.00 0.29 H new ATOM 0 HA ASN A 29 -3.133 12.290 4.339 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.242 11.456 4.137 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -1.087 12.174 5.495 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.779 8.140 5.097 1.00 0.39 H new ATOM 0 HD22 ASN A 29 -0.137 9.263 3.895 1.00 0.39 H new ATOM 407 N PRO A 30 -2.575 13.866 2.268 1.00 0.55 N ATOM 408 CA PRO A 30 -2.198 14.782 1.181 1.00 0.66 C ATOM 409 C PRO A 30 -1.009 15.665 1.511 1.00 0.72 C ATOM 410 O PRO A 30 -1.108 16.614 2.294 1.00 0.82 O ATOM 411 CB PRO A 30 -3.463 15.612 0.978 1.00 0.83 C ATOM 412 CG PRO A 30 -4.539 14.690 1.406 1.00 0.82 C ATOM 413 CD PRO A 30 -3.992 14.011 2.617 1.00 0.75 C ATOM 0 HA PRO A 30 -1.873 14.240 0.293 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -3.449 16.522 1.578 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -3.583 15.917 -0.062 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.457 15.231 1.635 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.780 13.971 0.623 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.132 14.608 3.518 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.469 13.048 2.796 1.00 0.75 H new ATOM 421 N THR A 31 0.119 15.317 0.923 1.00 0.73 N ATOM 422 CA THR A 31 1.329 16.099 1.050 1.00 0.84 C ATOM 423 C THR A 31 1.311 17.240 0.039 1.00 1.10 C ATOM 424 O THR A 31 1.450 18.414 0.390 1.00 1.83 O ATOM 425 CB THR A 31 2.565 15.210 0.807 1.00 0.96 C ATOM 426 OG1 THR A 31 2.500 14.635 -0.503 1.00 1.60 O ATOM 427 CG2 THR A 31 2.631 14.083 1.817 1.00 0.81 C ATOM 0 H THR A 31 0.220 14.483 0.344 1.00 0.73 H new ATOM 0 HA THR A 31 1.381 16.509 2.059 1.00 0.84 H new ATOM 0 HB THR A 31 3.451 15.837 0.907 1.00 0.96 H new ATOM 0 HG1 THR A 31 2.184 13.710 -0.439 1.00 1.60 H new ATOM 0 HG21 THR A 31 3.512 13.471 1.623 1.00 0.81 H new ATOM 0 HG22 THR A 31 2.692 14.499 2.823 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.736 13.467 1.733 1.00 0.81 H new ATOM 435 N THR A 32 1.101 16.864 -1.213 1.00 1.19 N ATOM 436 CA THR A 32 1.077 17.776 -2.339 1.00 1.43 C ATOM 437 C THR A 32 0.794 16.951 -3.601 1.00 1.47 C ATOM 438 O THR A 32 -0.073 16.080 -3.575 1.00 2.05 O ATOM 439 CB THR A 32 2.412 18.569 -2.450 1.00 1.62 C ATOM 440 OG1 THR A 32 2.404 19.424 -3.600 1.00 2.36 O ATOM 441 CG2 THR A 32 3.615 17.638 -2.513 1.00 1.32 C ATOM 0 H THR A 32 0.939 15.892 -1.477 1.00 1.19 H new ATOM 0 HA THR A 32 0.294 18.523 -2.206 1.00 1.43 H new ATOM 0 HB THR A 32 2.497 19.179 -1.551 1.00 1.62 H new ATOM 0 HG1 THR A 32 3.251 19.914 -3.649 1.00 2.36 H new ATOM 0 HG21 THR A 32 4.528 18.228 -2.590 1.00 1.32 H new ATOM 0 HG22 THR A 32 3.652 17.029 -1.610 1.00 1.32 H new ATOM 0 HG23 THR A 32 3.528 16.989 -3.385 1.00 1.32 H new ATOM 449 N GLY A 33 1.510 17.211 -4.687 1.00 1.30 N ATOM 450 CA GLY A 33 1.357 16.417 -5.894 1.00 1.26 C ATOM 451 C GLY A 33 1.706 14.951 -5.694 1.00 1.01 C ATOM 452 O GLY A 33 1.248 14.095 -6.453 1.00 1.27 O ATOM 0 H GLY A 33 2.198 17.961 -4.755 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.328 16.494 -6.244 1.00 1.26 H new ATOM 0 HA3 GLY A 33 1.992 16.832 -6.677 1.00 1.26 H new ATOM 456 N PHE A 34 2.562 14.669 -4.710 1.00 0.86 N ATOM 457 CA PHE A 34 2.918 13.296 -4.365 1.00 0.88 C ATOM 458 C PHE A 34 1.686 12.434 -4.102 1.00 0.79 C ATOM 459 O PHE A 34 0.655 12.922 -3.638 1.00 1.11 O ATOM 460 CB PHE A 34 3.808 13.236 -3.115 1.00 1.25 C ATOM 461 CG PHE A 34 4.936 14.226 -3.067 1.00 1.50 C ATOM 462 CD1 PHE A 34 5.535 14.692 -4.222 1.00 1.69 C ATOM 463 CD2 PHE A 34 5.396 14.692 -1.845 1.00 1.95 C ATOM 464 CE1 PHE A 34 6.568 15.603 -4.162 1.00 1.94 C ATOM 465 CE2 PHE A 34 6.430 15.601 -1.778 1.00 2.22 C ATOM 466 CZ PHE A 34 7.016 16.057 -2.939 1.00 2.08 C ATOM 0 H PHE A 34 3.022 15.377 -4.138 1.00 0.86 H new ATOM 0 HA PHE A 34 3.460 12.909 -5.228 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.180 13.387 -2.237 1.00 1.25 H new ATOM 0 HB3 PHE A 34 4.227 12.233 -3.038 1.00 1.25 H new ATOM 0 HD1 PHE A 34 5.190 14.339 -5.182 1.00 1.69 H new ATOM 0 HD2 PHE A 34 4.938 14.338 -0.933 1.00 1.95 H new ATOM 0 HE1 PHE A 34 7.026 15.961 -5.072 1.00 1.94 H new ATOM 0 HE2 PHE A 34 6.780 15.955 -0.819 1.00 2.22 H new ATOM 0 HZ PHE A 34 7.826 16.770 -2.891 1.00 2.08 H new ATOM 476 N ALA A 35 1.826 11.147 -4.386 1.00 0.44 N ATOM 477 CA ALA A 35 0.819 10.152 -4.059 1.00 0.37 C ATOM 478 C ALA A 35 1.506 8.809 -3.807 1.00 0.30 C ATOM 479 O ALA A 35 2.682 8.637 -4.168 1.00 0.30 O ATOM 480 CB ALA A 35 -0.181 10.028 -5.193 1.00 0.44 C ATOM 0 H ALA A 35 2.648 10.763 -4.853 1.00 0.44 H new ATOM 0 HA ALA A 35 0.282 10.458 -3.161 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -0.931 9.280 -4.937 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.669 10.989 -5.355 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.337 9.726 -6.103 1.00 0.44 H new ATOM 486 N TRP A 36 0.794 7.869 -3.182 1.00 0.26 N ATOM 487 CA TRP A 36 1.382 6.570 -2.863 1.00 0.21 C ATOM 488 C TRP A 36 1.312 5.619 -4.050 1.00 0.27 C ATOM 489 O TRP A 36 0.238 5.339 -4.580 1.00 0.43 O ATOM 490 CB TRP A 36 0.704 5.886 -1.672 1.00 0.20 C ATOM 491 CG TRP A 36 0.803 6.606 -0.372 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.120 7.435 0.201 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.889 6.513 0.547 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.328 7.846 1.430 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.559 7.299 1.662 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.107 5.836 0.529 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.401 7.423 2.757 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.952 5.963 1.611 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.595 6.748 2.718 1.00 0.14 C ATOM 0 H TRP A 36 -0.177 7.981 -2.891 1.00 0.26 H new ATOM 0 HA TRP A 36 2.420 6.782 -2.606 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.351 5.746 -1.909 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.138 4.894 -1.551 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.060 7.723 -0.246 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.176 8.461 2.069 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.384 5.224 -0.316 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 2.127 8.028 3.609 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.903 5.451 1.607 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.273 6.822 3.555 1.00 0.14 H new ATOM 510 N TYR A 37 2.469 5.123 -4.449 1.00 0.27 N ATOM 511 CA TYR A 37 2.576 4.096 -5.472 1.00 0.34 C ATOM 512 C TYR A 37 3.916 3.374 -5.325 1.00 0.39 C ATOM 513 O TYR A 37 4.886 3.985 -4.903 1.00 0.78 O ATOM 514 CB TYR A 37 2.392 4.695 -6.877 1.00 0.53 C ATOM 515 CG TYR A 37 3.078 6.025 -7.106 1.00 0.61 C ATOM 516 CD1 TYR A 37 4.306 6.310 -6.518 1.00 1.42 C ATOM 517 CD2 TYR A 37 2.484 7.011 -7.870 1.00 0.90 C ATOM 518 CE1 TYR A 37 4.903 7.531 -6.690 1.00 2.10 C ATOM 519 CE2 TYR A 37 3.074 8.231 -8.032 1.00 1.47 C ATOM 520 CZ TYR A 37 4.374 8.409 -7.602 1.00 2.04 C ATOM 521 OH TYR A 37 4.843 9.720 -7.572 1.00 2.78 O ATOM 0 H TYR A 37 3.367 5.423 -4.070 1.00 0.27 H new ATOM 0 HA TYR A 37 1.777 3.366 -5.339 1.00 0.34 H new ATOM 0 HB2 TYR A 37 2.765 3.981 -7.611 1.00 0.53 H new ATOM 0 HB3 TYR A 37 1.325 4.817 -7.065 1.00 0.53 H new ATOM 0 HD1 TYR A 37 4.796 5.558 -5.917 1.00 1.42 H new ATOM 0 HD2 TYR A 37 1.536 6.813 -8.348 1.00 0.90 H new ATOM 0 HE1 TYR A 37 5.778 7.799 -6.116 1.00 2.10 H new ATOM 0 HE2 TYR A 37 2.532 9.045 -8.490 1.00 1.47 H new ATOM 0 HH TYR A 37 4.137 10.313 -7.240 1.00 2.78 H new ATOM 531 N PHE A 38 3.962 2.079 -5.651 1.00 0.26 N ATOM 532 CA PHE A 38 5.161 1.253 -5.406 1.00 0.25 C ATOM 533 C PHE A 38 6.441 1.957 -5.829 1.00 0.32 C ATOM 534 O PHE A 38 7.255 2.326 -4.991 1.00 0.38 O ATOM 535 CB PHE A 38 5.073 -0.076 -6.139 1.00 0.27 C ATOM 536 CG PHE A 38 4.612 -1.226 -5.288 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.473 -1.819 -4.385 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.316 -1.708 -5.382 1.00 0.33 C ATOM 539 CE1 PHE A 38 5.060 -2.870 -3.592 1.00 0.41 C ATOM 540 CE2 PHE A 38 2.893 -2.761 -4.590 1.00 0.41 C ATOM 541 CZ PHE A 38 3.748 -3.362 -3.732 1.00 0.43 C ATOM 0 H PHE A 38 3.188 1.576 -6.084 1.00 0.26 H new ATOM 0 HA PHE A 38 5.194 1.081 -4.330 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.391 0.033 -6.982 1.00 0.27 H new ATOM 0 HB3 PHE A 38 6.053 -0.315 -6.551 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.486 -1.454 -4.298 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.628 -1.257 -6.082 1.00 0.33 H new ATOM 0 HE1 PHE A 38 5.735 -3.310 -2.873 1.00 0.41 H new ATOM 0 HE2 PHE A 38 1.872 -3.106 -4.658 1.00 0.41 H new ATOM 0 HZ PHE A 38 3.426 -4.217 -3.156 1.00 0.43 H new ATOM 551 N GLU A 39 6.618 2.133 -7.127 1.00 0.40 N ATOM 552 CA GLU A 39 7.769 2.863 -7.633 1.00 0.51 C ATOM 553 C GLU A 39 7.337 3.926 -8.637 1.00 0.51 C ATOM 554 O GLU A 39 8.141 4.415 -9.430 1.00 0.61 O ATOM 555 CB GLU A 39 8.795 1.908 -8.247 1.00 0.61 C ATOM 556 CG GLU A 39 8.200 0.903 -9.214 1.00 1.11 C ATOM 557 CD GLU A 39 9.259 0.063 -9.887 1.00 1.75 C ATOM 558 OE1 GLU A 39 9.746 -0.897 -9.259 1.00 2.19 O ATOM 559 OE2 GLU A 39 9.601 0.348 -11.052 1.00 2.39 O ATOM 0 H GLU A 39 5.985 1.783 -7.846 1.00 0.40 H new ATOM 0 HA GLU A 39 8.246 3.369 -6.794 1.00 0.51 H new ATOM 0 HB2 GLU A 39 9.554 2.492 -8.767 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.301 1.370 -7.445 1.00 0.61 H new ATOM 0 HG2 GLU A 39 7.508 0.252 -8.679 1.00 1.11 H new ATOM 0 HG3 GLU A 39 7.621 1.430 -9.972 1.00 1.11 H new ATOM 566 N GLY A 40 6.058 4.277 -8.593 1.00 0.51 N ATOM 567 CA GLY A 40 5.563 5.365 -9.415 1.00 0.55 C ATOM 568 C GLY A 40 4.858 4.893 -10.659 1.00 0.56 C ATOM 569 O GLY A 40 5.480 4.688 -11.697 1.00 0.73 O ATOM 0 H GLY A 40 5.356 3.829 -8.004 1.00 0.51 H new ATOM 0 HA2 GLY A 40 4.878 5.975 -8.826 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.397 6.006 -9.699 1.00 0.55 H new ATOM 573 N GLY A 41 3.551 4.724 -10.549 1.00 0.55 N ATOM 574 CA GLY A 41 2.763 4.286 -11.680 1.00 0.70 C ATOM 575 C GLY A 41 2.814 2.782 -11.872 1.00 0.61 C ATOM 576 O GLY A 41 2.129 2.231 -12.735 1.00 0.70 O ATOM 0 H GLY A 41 3.020 4.883 -9.693 1.00 0.55 H new ATOM 0 HA2 GLY A 41 1.728 4.597 -11.540 1.00 0.70 H new ATOM 0 HA3 GLY A 41 3.124 4.777 -12.583 1.00 0.70 H new ATOM 580 N THR A 42 3.605 2.121 -11.044 1.00 0.53 N ATOM 581 CA THR A 42 3.804 0.685 -11.137 1.00 0.51 C ATOM 582 C THR A 42 3.572 0.004 -9.812 1.00 0.43 C ATOM 583 O THR A 42 3.871 0.559 -8.755 1.00 0.44 O ATOM 584 CB THR A 42 5.221 0.335 -11.581 1.00 0.67 C ATOM 585 OG1 THR A 42 6.089 1.456 -11.362 1.00 1.13 O ATOM 586 CG2 THR A 42 5.256 -0.082 -13.043 1.00 0.92 C ATOM 0 H THR A 42 4.127 2.565 -10.289 1.00 0.53 H new ATOM 0 HA THR A 42 3.082 0.337 -11.875 1.00 0.51 H new ATOM 0 HB THR A 42 5.566 -0.511 -10.987 1.00 0.67 H new ATOM 0 HG1 THR A 42 6.938 1.309 -11.829 1.00 1.13 H new ATOM 0 HG21 THR A 42 6.280 -0.325 -13.328 1.00 0.92 H new ATOM 0 HG22 THR A 42 4.622 -0.957 -13.187 1.00 0.92 H new ATOM 0 HG23 THR A 42 4.891 0.736 -13.664 1.00 0.92 H new ATOM 594 N LYS A 43 2.986 -1.176 -9.881 1.00 0.49 N ATOM 595 CA LYS A 43 2.814 -2.010 -8.717 1.00 0.46 C ATOM 596 C LYS A 43 2.967 -3.484 -9.071 1.00 0.55 C ATOM 597 O LYS A 43 2.419 -3.951 -10.072 1.00 0.75 O ATOM 598 CB LYS A 43 1.462 -1.761 -8.048 1.00 0.58 C ATOM 599 CG LYS A 43 0.224 -2.119 -8.880 1.00 1.15 C ATOM 600 CD LYS A 43 -0.213 -0.996 -9.817 1.00 1.41 C ATOM 601 CE LYS A 43 0.297 -1.191 -11.241 1.00 1.96 C ATOM 602 NZ LYS A 43 -0.235 -2.428 -11.876 1.00 2.52 N ATOM 0 H LYS A 43 2.619 -1.578 -10.743 1.00 0.49 H new ATOM 0 HA LYS A 43 3.597 -1.743 -8.008 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.428 -2.331 -7.119 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.401 -0.707 -7.778 1.00 0.58 H new ATOM 0 HG2 LYS A 43 0.434 -3.013 -9.467 1.00 1.15 H new ATOM 0 HG3 LYS A 43 -0.599 -2.365 -8.209 1.00 1.15 H new ATOM 0 HD2 LYS A 43 -1.302 -0.940 -9.829 1.00 1.41 H new ATOM 0 HD3 LYS A 43 0.151 -0.044 -9.432 1.00 1.41 H new ATOM 0 HE2 LYS A 43 0.017 -0.328 -11.845 1.00 1.96 H new ATOM 0 HE3 LYS A 43 1.386 -1.232 -11.230 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -0.228 -2.318 -12.910 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 0.360 -3.238 -11.610 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -1.209 -2.593 -11.552 1.00 2.52 H new ATOM 616 N GLU A 44 3.726 -4.205 -8.265 1.00 0.48 N ATOM 617 CA GLU A 44 3.815 -5.649 -8.396 1.00 0.60 C ATOM 618 C GLU A 44 3.582 -6.313 -7.043 1.00 0.49 C ATOM 619 O GLU A 44 3.699 -5.674 -5.997 1.00 0.54 O ATOM 620 CB GLU A 44 5.169 -6.081 -8.973 1.00 0.83 C ATOM 621 CG GLU A 44 6.364 -5.753 -8.091 1.00 0.92 C ATOM 622 CD GLU A 44 6.747 -4.290 -8.130 1.00 1.48 C ATOM 623 OE1 GLU A 44 7.347 -3.854 -9.134 1.00 1.80 O ATOM 624 OE2 GLU A 44 6.430 -3.566 -7.166 1.00 2.30 O ATOM 0 H GLU A 44 4.291 -3.813 -7.511 1.00 0.48 H new ATOM 0 HA GLU A 44 3.040 -5.970 -9.092 1.00 0.60 H new ATOM 0 HB2 GLU A 44 5.148 -7.156 -9.149 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.306 -5.602 -9.942 1.00 0.83 H new ATOM 0 HG2 GLU A 44 6.138 -6.036 -7.063 1.00 0.92 H new ATOM 0 HG3 GLU A 44 7.217 -6.354 -8.407 1.00 0.92 H new ATOM 631 N SER A 45 3.235 -7.587 -7.065 1.00 0.61 N ATOM 632 CA SER A 45 2.987 -8.329 -5.842 1.00 0.55 C ATOM 633 C SER A 45 3.852 -9.576 -5.827 1.00 0.80 C ATOM 634 O SER A 45 4.005 -10.238 -6.848 1.00 1.15 O ATOM 635 CB SER A 45 1.509 -8.720 -5.737 1.00 0.83 C ATOM 636 OG SER A 45 1.232 -9.352 -4.495 1.00 1.61 O ATOM 0 H SER A 45 3.118 -8.131 -7.920 1.00 0.61 H new ATOM 0 HA SER A 45 3.237 -7.698 -4.989 1.00 0.55 H new ATOM 0 HB2 SER A 45 0.887 -7.831 -5.843 1.00 0.83 H new ATOM 0 HB3 SER A 45 1.248 -9.391 -6.556 1.00 0.83 H new ATOM 0 HG SER A 45 0.528 -10.022 -4.619 1.00 1.61 H new ATOM 642 N PRO A 46 4.436 -9.906 -4.671 1.00 0.85 N ATOM 643 CA PRO A 46 5.233 -11.122 -4.515 1.00 1.17 C ATOM 644 C PRO A 46 4.406 -12.362 -4.834 1.00 1.12 C ATOM 645 O PRO A 46 3.292 -12.514 -4.319 1.00 1.88 O ATOM 646 CB PRO A 46 5.632 -11.113 -3.035 1.00 1.50 C ATOM 647 CG PRO A 46 5.494 -9.691 -2.613 1.00 1.39 C ATOM 648 CD PRO A 46 4.364 -9.131 -3.428 1.00 0.92 C ATOM 0 HA PRO A 46 6.090 -11.147 -5.188 1.00 1.17 H new ATOM 0 HB2 PRO A 46 4.986 -11.765 -2.447 1.00 1.50 H new ATOM 0 HB3 PRO A 46 6.653 -11.469 -2.898 1.00 1.50 H new ATOM 0 HG2 PRO A 46 5.281 -9.618 -1.547 1.00 1.39 H new ATOM 0 HG3 PRO A 46 6.417 -9.139 -2.792 1.00 1.39 H new ATOM 0 HD2 PRO A 46 3.404 -9.259 -2.928 1.00 0.92 H new ATOM 0 HD3 PRO A 46 4.489 -8.064 -3.610 1.00 0.92 H new ATOM 656 N ASN A 47 4.953 -13.219 -5.695 1.00 1.01 N ATOM 657 CA ASN A 47 4.283 -14.447 -6.132 1.00 1.08 C ATOM 658 C ASN A 47 3.130 -14.123 -7.078 1.00 0.97 C ATOM 659 O ASN A 47 2.050 -14.708 -6.989 1.00 1.25 O ATOM 660 CB ASN A 47 3.783 -15.274 -4.940 1.00 1.23 C ATOM 661 CG ASN A 47 4.911 -15.828 -4.094 1.00 1.53 C ATOM 662 OD1 ASN A 47 5.979 -16.169 -4.605 1.00 2.43 O ATOM 663 ND2 ASN A 47 4.693 -15.912 -2.787 1.00 1.23 N ATOM 0 H ASN A 47 5.874 -13.083 -6.111 1.00 1.01 H new ATOM 0 HA ASN A 47 5.017 -15.049 -6.668 1.00 1.08 H new ATOM 0 HB2 ASN A 47 3.140 -14.653 -4.317 1.00 1.23 H new ATOM 0 HB3 ASN A 47 3.172 -16.098 -5.307 1.00 1.23 H new ATOM 0 HD21 ASN A 47 5.423 -16.268 -2.170 1.00 1.23 H new ATOM 0 HD22 ASN A 47 3.796 -15.620 -2.400 1.00 1.23 H new ATOM 670 N GLU A 48 3.378 -13.194 -7.999 1.00 0.86 N ATOM 671 CA GLU A 48 2.375 -12.762 -8.961 1.00 0.93 C ATOM 672 C GLU A 48 2.313 -13.700 -10.171 1.00 0.93 C ATOM 673 O GLU A 48 2.037 -13.275 -11.296 1.00 1.53 O ATOM 674 CB GLU A 48 2.656 -11.315 -9.406 1.00 1.24 C ATOM 675 CG GLU A 48 3.859 -11.138 -10.331 1.00 1.89 C ATOM 676 CD GLU A 48 5.188 -11.395 -9.652 1.00 2.65 C ATOM 677 OE1 GLU A 48 5.602 -12.566 -9.564 1.00 2.99 O ATOM 678 OE2 GLU A 48 5.826 -10.424 -9.195 1.00 3.26 O ATOM 0 H GLU A 48 4.277 -12.723 -8.097 1.00 0.86 H new ATOM 0 HA GLU A 48 1.402 -12.798 -8.472 1.00 0.93 H new ATOM 0 HB2 GLU A 48 1.770 -10.929 -9.911 1.00 1.24 H new ATOM 0 HB3 GLU A 48 2.809 -10.702 -8.518 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.757 -11.815 -11.180 1.00 1.89 H new ATOM 0 HG3 GLU A 48 3.854 -10.124 -10.730 1.00 1.89 H new ATOM 685 N SER A 49 2.554 -14.980 -9.930 1.00 0.94 N ATOM 686 CA SER A 49 2.526 -15.978 -10.985 1.00 1.13 C ATOM 687 C SER A 49 1.099 -16.154 -11.507 1.00 1.05 C ATOM 688 O SER A 49 0.796 -15.838 -12.658 1.00 1.48 O ATOM 689 CB SER A 49 3.055 -17.306 -10.440 1.00 1.39 C ATOM 690 OG SER A 49 4.169 -17.096 -9.587 1.00 2.06 O ATOM 0 H SER A 49 2.772 -15.352 -9.006 1.00 0.94 H new ATOM 0 HA SER A 49 3.158 -15.649 -11.810 1.00 1.13 H new ATOM 0 HB2 SER A 49 2.265 -17.820 -9.893 1.00 1.39 H new ATOM 0 HB3 SER A 49 3.343 -17.954 -11.268 1.00 1.39 H new ATOM 0 HG SER A 49 4.489 -17.958 -9.249 1.00 2.06 H new ATOM 696 N MET A 50 0.225 -16.628 -10.633 1.00 0.77 N ATOM 697 CA MET A 50 -1.162 -16.899 -10.986 1.00 0.69 C ATOM 698 C MET A 50 -2.085 -15.859 -10.367 1.00 0.60 C ATOM 699 O MET A 50 -3.116 -15.495 -10.935 1.00 0.66 O ATOM 700 CB MET A 50 -1.566 -18.299 -10.530 1.00 0.68 C ATOM 701 CG MET A 50 -1.545 -18.518 -9.019 1.00 0.66 C ATOM 702 SD MET A 50 0.076 -18.245 -8.271 1.00 1.25 S ATOM 703 CE MET A 50 -0.285 -18.523 -6.543 1.00 1.10 C ATOM 0 H MET A 50 0.455 -16.836 -9.661 1.00 0.77 H new ATOM 0 HA MET A 50 -1.255 -16.844 -12.071 1.00 0.69 H new ATOM 0 HB2 MET A 50 -2.570 -18.509 -10.898 1.00 0.68 H new ATOM 0 HB3 MET A 50 -0.898 -19.023 -10.996 1.00 0.68 H new ATOM 0 HG2 MET A 50 -2.268 -17.848 -8.553 1.00 0.66 H new ATOM 0 HG3 MET A 50 -1.868 -19.536 -8.803 1.00 0.66 H new ATOM 0 HE1 MET A 50 0.623 -18.389 -5.955 1.00 1.10 H new ATOM 0 HE2 MET A 50 -1.041 -17.811 -6.210 1.00 1.10 H new ATOM 0 HE3 MET A 50 -0.658 -19.538 -6.408 1.00 1.10 H new ATOM 713 N PHE A 51 -1.699 -15.398 -9.190 1.00 0.52 N ATOM 714 CA PHE A 51 -2.426 -14.365 -8.480 1.00 0.44 C ATOM 715 C PHE A 51 -1.657 -13.055 -8.600 1.00 0.51 C ATOM 716 O PHE A 51 -0.496 -13.067 -8.996 1.00 0.74 O ATOM 717 CB PHE A 51 -2.641 -14.796 -7.024 1.00 0.37 C ATOM 718 CG PHE A 51 -3.909 -15.586 -6.820 1.00 0.38 C ATOM 719 CD1 PHE A 51 -4.174 -16.709 -7.588 1.00 0.60 C ATOM 720 CD2 PHE A 51 -4.841 -15.202 -5.864 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.338 -17.430 -7.410 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.006 -15.922 -5.683 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.255 -17.037 -6.456 1.00 0.61 C ATOM 0 H PHE A 51 -0.869 -15.732 -8.700 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.414 -14.212 -8.914 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -1.791 -15.396 -6.700 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -2.666 -13.910 -6.389 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.461 -17.024 -8.335 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -4.653 -14.330 -5.255 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.531 -18.302 -8.017 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -6.722 -15.612 -4.936 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.165 -17.601 -6.315 1.00 0.61 H new ATOM 733 N THR A 52 -2.281 -11.932 -8.284 1.00 0.47 N ATOM 734 CA THR A 52 -1.706 -10.649 -8.657 1.00 0.61 C ATOM 735 C THR A 52 -2.255 -9.497 -7.809 1.00 0.49 C ATOM 736 O THR A 52 -3.213 -9.664 -7.047 1.00 0.75 O ATOM 737 CB THR A 52 -1.931 -10.363 -10.163 1.00 1.10 C ATOM 738 OG1 THR A 52 -1.159 -9.223 -10.571 1.00 1.41 O ATOM 739 CG2 THR A 52 -3.404 -10.117 -10.469 1.00 1.46 C ATOM 0 H THR A 52 -3.167 -11.881 -7.781 1.00 0.47 H new ATOM 0 HA THR A 52 -0.635 -10.714 -8.464 1.00 0.61 H new ATOM 0 HB THR A 52 -1.607 -11.243 -10.719 1.00 1.10 H new ATOM 0 HG1 THR A 52 -1.307 -9.052 -11.525 1.00 1.41 H new ATOM 0 HG21 THR A 52 -3.526 -9.920 -11.534 1.00 1.46 H new ATOM 0 HG22 THR A 52 -3.985 -10.998 -10.194 1.00 1.46 H new ATOM 0 HG23 THR A 52 -3.756 -9.258 -9.898 1.00 1.46 H new ATOM 747 N VAL A 53 -1.633 -8.333 -7.954 1.00 0.46 N ATOM 748 CA VAL A 53 -1.979 -7.156 -7.173 1.00 0.44 C ATOM 749 C VAL A 53 -2.867 -6.222 -7.988 1.00 0.49 C ATOM 750 O VAL A 53 -2.538 -5.833 -9.110 1.00 0.76 O ATOM 751 CB VAL A 53 -0.709 -6.382 -6.731 1.00 0.67 C ATOM 752 CG1 VAL A 53 0.233 -6.166 -7.908 1.00 1.00 C ATOM 753 CG2 VAL A 53 -1.076 -5.042 -6.100 1.00 1.31 C ATOM 0 H VAL A 53 -0.874 -8.180 -8.618 1.00 0.46 H new ATOM 0 HA VAL A 53 -2.513 -7.497 -6.286 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.197 -6.987 -5.983 1.00 0.67 H new ATOM 0 HG11 VAL A 53 1.116 -5.621 -7.572 1.00 1.00 H new ATOM 0 HG12 VAL A 53 0.535 -7.131 -8.314 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -0.276 -5.590 -8.681 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.167 -4.520 -5.799 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -1.620 -4.436 -6.824 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -1.703 -5.212 -5.225 1.00 1.31 H new ATOM 763 N GLU A 54 -3.999 -5.883 -7.411 1.00 0.45 N ATOM 764 CA GLU A 54 -4.962 -5.008 -8.040 1.00 0.52 C ATOM 765 C GLU A 54 -4.999 -3.691 -7.281 1.00 0.46 C ATOM 766 O GLU A 54 -5.209 -3.669 -6.067 1.00 0.59 O ATOM 767 CB GLU A 54 -6.332 -5.678 -8.030 1.00 0.71 C ATOM 768 CG GLU A 54 -6.282 -7.128 -8.489 1.00 1.35 C ATOM 769 CD GLU A 54 -7.611 -7.835 -8.351 1.00 1.86 C ATOM 770 OE1 GLU A 54 -8.055 -8.047 -7.204 1.00 2.18 O ATOM 771 OE2 GLU A 54 -8.224 -8.168 -9.387 1.00 2.45 O ATOM 0 H GLU A 54 -4.278 -6.209 -6.486 1.00 0.45 H new ATOM 0 HA GLU A 54 -4.680 -4.812 -9.074 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -6.745 -5.635 -7.022 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -7.009 -5.120 -8.677 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -5.964 -7.163 -9.531 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -5.530 -7.662 -7.908 1.00 1.35 H new ATOM 778 N ASN A 55 -4.793 -2.595 -7.980 1.00 0.49 N ATOM 779 CA ASN A 55 -4.658 -1.310 -7.317 1.00 0.46 C ATOM 780 C ASN A 55 -5.918 -0.477 -7.459 1.00 0.46 C ATOM 781 O ASN A 55 -6.681 -0.628 -8.415 1.00 0.65 O ATOM 782 CB ASN A 55 -3.471 -0.527 -7.871 1.00 0.62 C ATOM 783 CG ASN A 55 -3.613 -0.184 -9.350 1.00 1.21 C ATOM 784 OD1 ASN A 55 -4.236 -0.914 -10.124 1.00 1.84 O ATOM 785 ND2 ASN A 55 -3.021 0.924 -9.759 1.00 1.93 N ATOM 0 H ASN A 55 -4.716 -2.564 -8.997 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.489 -1.515 -6.260 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -3.354 0.395 -7.301 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -2.561 -1.109 -7.726 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -3.072 1.197 -10.740 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -2.513 1.507 -9.093 1.00 1.93 H new ATOM 792 N LYS A 56 -6.127 0.400 -6.489 1.00 0.42 N ATOM 793 CA LYS A 56 -7.275 1.286 -6.468 1.00 0.43 C ATOM 794 C LYS A 56 -7.035 2.397 -5.458 1.00 0.46 C ATOM 795 O LYS A 56 -6.913 2.152 -4.256 1.00 0.53 O ATOM 796 CB LYS A 56 -8.551 0.494 -6.140 1.00 0.55 C ATOM 797 CG LYS A 56 -8.331 -0.634 -5.142 1.00 1.03 C ATOM 798 CD LYS A 56 -8.529 -0.178 -3.711 1.00 0.62 C ATOM 799 CE LYS A 56 -9.917 -0.494 -3.191 1.00 1.26 C ATOM 800 NZ LYS A 56 -10.992 0.085 -4.039 1.00 1.42 N ATOM 0 H LYS A 56 -5.501 0.516 -5.692 1.00 0.42 H new ATOM 0 HA LYS A 56 -7.411 1.736 -7.451 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -9.301 1.178 -5.742 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.957 0.078 -7.062 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -9.020 -1.450 -5.360 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -7.322 -1.029 -5.259 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -7.787 -0.659 -3.073 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -8.356 0.896 -3.648 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -10.044 -1.575 -3.139 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -10.016 -0.112 -2.175 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -11.916 -0.088 -3.594 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -10.842 1.109 -4.139 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -10.971 -0.361 -4.978 1.00 1.42 H new ATOM 814 N TYR A 57 -6.929 3.618 -5.935 1.00 0.48 N ATOM 815 CA TYR A 57 -6.612 4.718 -5.052 1.00 0.56 C ATOM 816 C TYR A 57 -7.706 5.751 -5.098 1.00 0.57 C ATOM 817 O TYR A 57 -8.455 5.835 -6.072 1.00 0.71 O ATOM 818 CB TYR A 57 -5.295 5.383 -5.409 1.00 0.69 C ATOM 819 CG TYR A 57 -4.267 4.485 -6.061 1.00 0.54 C ATOM 820 CD1 TYR A 57 -3.587 3.528 -5.315 1.00 0.61 C ATOM 821 CD2 TYR A 57 -3.993 4.572 -7.419 1.00 0.91 C ATOM 822 CE1 TYR A 57 -2.663 2.692 -5.904 1.00 0.98 C ATOM 823 CE2 TYR A 57 -3.073 3.736 -8.013 1.00 1.19 C ATOM 824 CZ TYR A 57 -2.351 2.875 -7.262 1.00 1.19 C ATOM 825 OH TYR A 57 -1.490 1.965 -7.847 1.00 1.66 O ATOM 0 H TYR A 57 -7.056 3.872 -6.915 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.522 4.302 -4.049 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -5.500 6.218 -6.079 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.862 5.802 -4.501 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -3.786 3.439 -4.257 1.00 0.61 H new ATOM 0 HD2 TYR A 57 -4.509 5.307 -8.019 1.00 0.91 H new ATOM 0 HE1 TYR A 57 -2.187 1.910 -5.332 1.00 0.98 H new ATOM 0 HE2 TYR A 57 -2.928 3.769 -9.083 1.00 1.19 H new ATOM 0 HH TYR A 57 -0.954 1.529 -7.152 1.00 1.66 H new ATOM 835 N PHE A 58 -7.804 6.529 -4.043 1.00 0.52 N ATOM 836 CA PHE A 58 -8.773 7.583 -3.987 1.00 0.60 C ATOM 837 C PHE A 58 -8.243 8.762 -3.185 1.00 0.73 C ATOM 838 O PHE A 58 -8.246 8.740 -1.956 1.00 0.80 O ATOM 839 CB PHE A 58 -10.050 7.045 -3.351 1.00 0.67 C ATOM 840 CG PHE A 58 -11.277 7.582 -3.998 1.00 0.96 C ATOM 841 CD1 PHE A 58 -11.571 7.307 -5.320 1.00 1.19 C ATOM 842 CD2 PHE A 58 -12.137 8.373 -3.266 1.00 1.56 C ATOM 843 CE1 PHE A 58 -12.714 7.814 -5.903 1.00 1.65 C ATOM 844 CE2 PHE A 58 -13.282 8.887 -3.840 1.00 2.14 C ATOM 845 CZ PHE A 58 -13.548 8.560 -5.247 1.00 2.08 C ATOM 0 H PHE A 58 -7.218 6.445 -3.212 1.00 0.52 H new ATOM 0 HA PHE A 58 -8.982 7.933 -4.998 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -10.055 5.957 -3.417 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -10.060 7.300 -2.291 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -10.901 6.691 -5.901 1.00 1.19 H new ATOM 0 HD2 PHE A 58 -11.912 8.593 -2.233 1.00 1.56 H new ATOM 0 HE1 PHE A 58 -12.921 7.583 -6.937 1.00 1.65 H new ATOM 0 HE2 PHE A 58 -13.960 9.509 -3.274 1.00 2.14 H new ATOM 0 HZ PHE A 58 -14.435 8.939 -5.733 1.00 2.08 H new ATOM 990 N GLY A 69 -7.502 10.811 2.488 1.00 1.49 N ATOM 991 CA GLY A 69 -7.685 10.101 1.249 1.00 1.05 C ATOM 992 C GLY A 69 -7.583 8.613 1.464 1.00 0.84 C ATOM 993 O GLY A 69 -7.572 8.151 2.603 1.00 1.12 O ATOM 0 HA2 GLY A 69 -8.659 10.346 0.825 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -6.934 10.421 0.527 1.00 1.05 H new ATOM 997 N THR A 70 -7.482 7.863 0.391 1.00 0.52 N ATOM 998 CA THR A 70 -7.533 6.420 0.476 1.00 0.46 C ATOM 999 C THR A 70 -6.965 5.746 -0.763 1.00 0.39 C ATOM 1000 O THR A 70 -7.698 5.355 -1.664 1.00 0.44 O ATOM 1001 CB THR A 70 -8.971 5.948 0.698 1.00 0.58 C ATOM 1002 OG1 THR A 70 -9.894 6.948 0.243 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.194 5.642 2.166 1.00 0.59 C ATOM 0 H THR A 70 -7.364 8.229 -0.554 1.00 0.52 H new ATOM 0 HA THR A 70 -6.913 6.133 1.326 1.00 0.46 H new ATOM 0 HB THR A 70 -9.141 5.037 0.124 1.00 0.58 H new ATOM 0 HG1 THR A 70 -10.812 6.636 0.388 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.220 5.307 2.316 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.506 4.858 2.483 1.00 0.59 H new ATOM 0 HG23 THR A 70 -9.016 6.541 2.756 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.662 5.579 -0.778 1.00 0.34 N ATOM 1012 CA GLU A 71 -4.983 4.935 -1.888 1.00 0.34 C ATOM 1013 C GLU A 71 -4.591 3.520 -1.485 1.00 0.31 C ATOM 1014 O GLU A 71 -3.723 3.325 -0.637 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.753 5.747 -2.291 1.00 0.36 C ATOM 1016 CG GLU A 71 -4.079 7.193 -2.625 1.00 0.47 C ATOM 1017 CD GLU A 71 -2.872 7.963 -3.117 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -2.574 7.887 -4.326 1.00 0.81 O ATOM 1019 OE2 GLU A 71 -2.225 8.643 -2.294 1.00 0.53 O ATOM 0 H GLU A 71 -5.042 5.883 -0.027 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.651 4.884 -2.748 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -3.026 5.722 -1.479 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.282 5.278 -3.155 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -4.858 7.219 -3.387 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.483 7.684 -1.740 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.255 2.527 -2.060 1.00 0.31 N ATOM 1027 CA HIS A 72 -5.076 1.158 -1.602 1.00 0.32 C ATOM 1028 C HIS A 72 -4.351 0.307 -2.630 1.00 0.29 C ATOM 1029 O HIS A 72 -4.491 0.495 -3.842 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.402 0.454 -1.318 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.413 1.186 -0.493 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.308 0.529 0.312 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -7.725 2.495 -0.400 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.122 1.397 0.859 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -8.801 2.603 0.445 1.00 0.53 N ATOM 0 H HIS A 72 -5.912 2.641 -2.832 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.492 1.249 -0.686 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.863 0.208 -2.275 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -6.181 -0.490 -0.819 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.335 -0.480 0.462 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.220 3.309 -0.899 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -9.926 1.161 1.540 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.613 -0.648 -2.116 1.00 0.25 N ATOM 1045 CA PHE A 73 -2.990 -1.686 -2.907 1.00 0.25 C ATOM 1046 C PHE A 73 -3.534 -3.035 -2.464 1.00 0.25 C ATOM 1047 O PHE A 73 -3.251 -3.500 -1.366 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.475 -1.632 -2.724 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.841 -0.465 -3.420 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -1.044 0.829 -2.972 1.00 0.75 C ATOM 1051 CD2 PHE A 73 -0.043 -0.666 -4.534 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.464 1.901 -3.621 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.537 0.400 -5.191 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.341 1.705 -4.689 1.00 1.13 C ATOM 0 H PHE A 73 -3.424 -0.728 -1.117 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.214 -1.538 -3.963 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.245 -1.582 -1.660 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -1.036 -2.555 -3.102 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.663 1.002 -2.104 1.00 0.75 H new ATOM 0 HD2 PHE A 73 0.128 -1.670 -4.893 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.655 2.905 -3.272 1.00 1.10 H new ATOM 0 HE2 PHE A 73 1.133 0.238 -6.077 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.833 2.545 -5.157 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.337 -3.651 -3.302 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.975 -4.910 -2.955 1.00 0.30 C ATOM 1066 C HIS A 74 -4.272 -6.054 -3.655 1.00 0.31 C ATOM 1067 O HIS A 74 -4.420 -6.230 -4.857 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.444 -4.892 -3.379 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.388 -4.196 -2.444 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.743 -4.418 -2.481 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -7.187 -3.296 -1.444 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -9.336 -3.700 -1.554 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -8.418 -3.008 -0.900 1.00 0.45 N ATOM 0 H HIS A 74 -4.567 -3.303 -4.233 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.912 -5.045 -1.875 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.514 -4.415 -4.357 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.779 -5.922 -3.502 1.00 0.38 H new ATOM 0 HD2 HIS A 74 -6.238 -2.884 -1.134 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -10.398 -3.678 -1.358 1.00 0.47 H new ATOM 0 HE2 HIS A 74 -8.593 -2.369 -0.124 1.00 0.45 H new ATOM 1082 N VAL A 75 -3.524 -6.845 -2.919 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.821 -7.940 -3.534 1.00 0.26 C ATOM 1084 C VAL A 75 -3.554 -9.240 -3.229 1.00 0.25 C ATOM 1085 O VAL A 75 -3.779 -9.620 -2.073 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.316 -8.004 -3.127 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.703 -6.613 -3.121 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -1.094 -8.669 -1.786 1.00 0.87 C ATOM 0 H VAL A 75 -3.390 -6.751 -1.912 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.815 -7.778 -4.612 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.821 -8.620 -3.878 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.347 -6.679 -2.835 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -0.781 -6.177 -4.117 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.235 -5.984 -2.407 1.00 0.71 H new ATOM 0 HG21 VAL A 75 -0.028 -8.683 -1.559 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.623 -8.113 -1.012 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.471 -9.691 -1.820 1.00 0.87 H new ATOM 1098 N THR A 76 -3.997 -9.883 -4.280 1.00 0.28 N ATOM 1099 CA THR A 76 -4.686 -11.135 -4.145 1.00 0.32 C ATOM 1100 C THR A 76 -3.720 -12.236 -4.514 1.00 0.34 C ATOM 1101 O THR A 76 -3.395 -12.413 -5.682 1.00 0.39 O ATOM 1102 CB THR A 76 -5.932 -11.199 -5.058 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.733 -10.022 -4.886 1.00 0.46 O ATOM 1104 CG2 THR A 76 -6.773 -12.428 -4.743 1.00 0.45 C ATOM 0 H THR A 76 -3.891 -9.556 -5.240 1.00 0.28 H new ATOM 0 HA THR A 76 -5.033 -11.248 -3.118 1.00 0.32 H new ATOM 0 HB THR A 76 -5.589 -11.261 -6.091 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.518 -10.072 -5.470 1.00 0.46 H new ATOM 0 HG21 THR A 76 -7.644 -12.451 -5.398 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.177 -13.327 -4.900 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.101 -12.388 -3.704 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.220 -12.923 -3.503 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.247 -13.977 -3.698 1.00 0.41 C ATOM 1114 C VAL A 77 -2.443 -15.073 -2.662 1.00 0.45 C ATOM 1115 O VAL A 77 -2.755 -14.793 -1.507 1.00 0.60 O ATOM 1116 CB VAL A 77 -0.798 -13.423 -3.615 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.596 -12.613 -2.342 1.00 0.90 C ATOM 1118 CG2 VAL A 77 0.225 -14.547 -3.695 1.00 1.04 C ATOM 0 H VAL A 77 -3.477 -12.765 -2.529 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.398 -14.394 -4.694 1.00 0.41 H new ATOM 0 HB VAL A 77 -0.648 -12.764 -4.470 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.426 -12.237 -2.309 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.292 -11.774 -2.330 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -0.778 -13.247 -1.474 1.00 0.90 H new ATOM 0 HG21 VAL A 77 1.230 -14.129 -3.634 1.00 1.04 H new ATOM 0 HG22 VAL A 77 0.070 -15.240 -2.868 1.00 1.04 H new ATOM 0 HG23 VAL A 77 0.109 -15.078 -4.640 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.299 -16.316 -3.089 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.282 -17.430 -2.165 1.00 0.41 C ATOM 1130 C LYS A 78 -1.052 -18.293 -2.417 1.00 0.40 C ATOM 1131 O LYS A 78 -0.988 -19.067 -3.368 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.586 -18.244 -2.238 1.00 0.48 C ATOM 1133 CG LYS A 78 -4.294 -18.222 -3.590 1.00 0.77 C ATOM 1134 CD LYS A 78 -3.615 -19.107 -4.626 1.00 0.61 C ATOM 1135 CE LYS A 78 -3.694 -20.581 -4.254 1.00 1.29 C ATOM 1136 NZ LYS A 78 -3.111 -21.452 -5.307 1.00 1.54 N ATOM 0 H LYS A 78 -2.192 -16.576 -4.070 1.00 0.39 H new ATOM 0 HA LYS A 78 -2.220 -17.041 -1.149 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -3.364 -19.279 -1.980 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.273 -17.867 -1.480 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -5.326 -18.549 -3.460 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.328 -17.197 -3.960 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -4.083 -18.952 -5.598 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -2.570 -18.813 -4.725 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -3.168 -20.747 -3.314 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -4.735 -20.858 -4.089 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -3.185 -22.447 -5.014 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -3.629 -21.314 -6.198 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -2.110 -21.206 -5.447 1.00 1.54 H new ATOM 1150 N ALA A 79 -0.065 -18.120 -1.557 1.00 0.39 N ATOM 1151 CA ALA A 79 1.207 -18.813 -1.670 1.00 0.40 C ATOM 1152 C ALA A 79 1.955 -18.662 -0.366 1.00 0.43 C ATOM 1153 O ALA A 79 1.545 -17.877 0.469 1.00 0.67 O ATOM 1154 CB ALA A 79 2.020 -18.255 -2.828 1.00 0.46 C ATOM 0 H ALA A 79 -0.123 -17.491 -0.756 1.00 0.39 H new ATOM 0 HA ALA A 79 1.034 -19.870 -1.871 1.00 0.40 H new ATOM 0 HB1 ALA A 79 2.969 -18.787 -2.896 1.00 0.46 H new ATOM 0 HB2 ALA A 79 1.465 -18.383 -3.757 1.00 0.46 H new ATOM 0 HB3 ALA A 79 2.210 -17.195 -2.662 1.00 0.46 H new ATOM 1160 N ALA A 80 3.012 -19.427 -0.171 1.00 0.34 N ATOM 1161 CA ALA A 80 3.784 -19.332 1.057 1.00 0.33 C ATOM 1162 C ALA A 80 5.033 -18.489 0.838 1.00 0.34 C ATOM 1163 O ALA A 80 6.094 -19.002 0.478 1.00 0.44 O ATOM 1164 CB ALA A 80 4.147 -20.714 1.569 1.00 0.37 C ATOM 0 H ALA A 80 3.355 -20.116 -0.840 1.00 0.34 H new ATOM 0 HA ALA A 80 3.171 -18.842 1.813 1.00 0.33 H new ATOM 0 HB1 ALA A 80 4.725 -20.621 2.489 1.00 0.37 H new ATOM 0 HB2 ALA A 80 3.236 -21.279 1.768 1.00 0.37 H new ATOM 0 HB3 ALA A 80 4.741 -21.236 0.819 1.00 0.37 H new ATOM 1170 N GLY A 81 4.893 -17.192 1.054 1.00 0.28 N ATOM 1171 CA GLY A 81 5.986 -16.263 0.841 1.00 0.29 C ATOM 1172 C GLY A 81 5.843 -15.046 1.718 1.00 0.25 C ATOM 1173 O GLY A 81 4.804 -14.847 2.334 1.00 0.26 O ATOM 0 H GLY A 81 4.028 -16.759 1.378 1.00 0.28 H new ATOM 0 HA2 GLY A 81 6.934 -16.758 1.052 1.00 0.29 H new ATOM 0 HA3 GLY A 81 6.011 -15.960 -0.206 1.00 0.29 H new ATOM 1177 N THR A 82 6.874 -14.237 1.809 1.00 0.26 N ATOM 1178 CA THR A 82 6.788 -13.037 2.608 1.00 0.25 C ATOM 1179 C THR A 82 6.576 -11.831 1.699 1.00 0.25 C ATOM 1180 O THR A 82 7.226 -11.688 0.667 1.00 0.30 O ATOM 1181 CB THR A 82 8.047 -12.837 3.475 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.421 -14.082 4.085 1.00 0.40 O ATOM 1183 CG2 THR A 82 7.784 -11.815 4.567 1.00 0.36 C ATOM 0 H THR A 82 7.771 -14.385 1.346 1.00 0.26 H new ATOM 0 HA THR A 82 5.939 -13.140 3.284 1.00 0.25 H new ATOM 0 HB THR A 82 8.852 -12.480 2.833 1.00 0.32 H new ATOM 0 HG1 THR A 82 9.222 -13.950 4.633 1.00 0.40 H new ATOM 0 HG21 THR A 82 8.683 -11.686 5.169 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.511 -10.862 4.115 1.00 0.36 H new ATOM 0 HG23 THR A 82 6.969 -12.162 5.202 1.00 0.36 H new ATOM 1191 N HIS A 83 5.638 -10.981 2.084 1.00 0.24 N ATOM 1192 CA HIS A 83 5.229 -9.856 1.267 1.00 0.25 C ATOM 1193 C HIS A 83 5.818 -8.564 1.837 1.00 0.24 C ATOM 1194 O HIS A 83 5.331 -8.041 2.836 1.00 0.24 O ATOM 1195 CB HIS A 83 3.690 -9.772 1.243 1.00 0.27 C ATOM 1196 CG HIS A 83 3.126 -8.927 0.136 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.423 -7.590 -0.021 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.257 -9.233 -0.856 1.00 0.37 C ATOM 1199 CE1 HIS A 83 2.762 -7.107 -1.059 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.047 -8.086 -1.585 1.00 0.39 N ATOM 0 H HIS A 83 5.140 -11.054 2.971 1.00 0.24 H new ATOM 0 HA HIS A 83 5.595 -9.992 0.249 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.286 -10.780 1.154 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.346 -9.373 2.198 1.00 0.27 H new ATOM 0 HD2 HIS A 83 1.811 -10.199 -1.041 1.00 0.37 H new ATOM 0 HE1 HIS A 83 2.800 -6.088 -1.416 1.00 0.40 H new ATOM 0 HE2 HIS A 83 1.438 -8.004 -2.399 1.00 0.39 H new ATOM 1209 N ALA A 84 6.845 -8.041 1.189 1.00 0.25 N ATOM 1210 CA ALA A 84 7.481 -6.814 1.649 1.00 0.25 C ATOM 1211 C ALA A 84 7.010 -5.647 0.798 1.00 0.25 C ATOM 1212 O ALA A 84 7.346 -5.542 -0.383 1.00 0.35 O ATOM 1213 CB ALA A 84 8.996 -6.945 1.597 1.00 0.31 C ATOM 0 H ALA A 84 7.256 -8.443 0.347 1.00 0.25 H new ATOM 0 HA ALA A 84 7.197 -6.631 2.686 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.453 -6.019 1.944 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.312 -7.768 2.238 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.309 -7.142 0.572 1.00 0.31 H new ATOM 1219 N VAL A 85 6.212 -4.781 1.399 1.00 0.22 N ATOM 1220 CA VAL A 85 5.526 -3.743 0.654 1.00 0.23 C ATOM 1221 C VAL A 85 6.163 -2.388 0.887 1.00 0.22 C ATOM 1222 O VAL A 85 5.990 -1.790 1.950 1.00 0.25 O ATOM 1223 CB VAL A 85 4.048 -3.652 1.057 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.205 -3.176 -0.113 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.554 -4.982 1.595 1.00 0.59 C ATOM 0 H VAL A 85 6.024 -4.777 2.402 1.00 0.22 H new ATOM 0 HA VAL A 85 5.605 -4.012 -0.399 1.00 0.23 H new ATOM 0 HB VAL A 85 3.951 -2.918 1.857 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.160 -3.118 0.191 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.546 -2.191 -0.430 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.303 -3.878 -0.941 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.504 -4.894 1.874 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.662 -5.748 0.827 1.00 0.59 H new ATOM 0 HG23 VAL A 85 4.140 -5.261 2.471 1.00 0.59 H new ATOM 1235 N ASN A 86 6.907 -1.924 -0.102 1.00 0.22 N ATOM 1236 CA ASN A 86 7.477 -0.585 -0.071 1.00 0.22 C ATOM 1237 C ASN A 86 6.745 0.289 -1.072 1.00 0.20 C ATOM 1238 O ASN A 86 6.972 0.195 -2.275 1.00 0.24 O ATOM 1239 CB ASN A 86 8.977 -0.603 -0.409 1.00 0.28 C ATOM 1240 CG ASN A 86 9.849 -1.259 0.650 1.00 0.85 C ATOM 1241 OD1 ASN A 86 10.990 -0.856 0.860 1.00 1.53 O ATOM 1242 ND2 ASN A 86 9.336 -2.287 1.311 1.00 0.94 N ATOM 0 H ASN A 86 7.132 -2.457 -0.942 1.00 0.22 H new ATOM 0 HA ASN A 86 7.364 -0.187 0.937 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.118 -1.127 -1.355 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.316 0.422 -0.558 1.00 0.28 H new ATOM 0 HD21 ASN A 86 9.893 -2.768 2.018 1.00 0.94 H new ATOM 0 HD22 ASN A 86 8.385 -2.597 1.113 1.00 0.94 H new ATOM 1249 N LEU A 87 5.872 1.139 -0.569 1.00 0.18 N ATOM 1250 CA LEU A 87 5.092 2.019 -1.421 1.00 0.19 C ATOM 1251 C LEU A 87 5.651 3.423 -1.334 1.00 0.18 C ATOM 1252 O LEU A 87 5.813 3.955 -0.246 1.00 0.18 O ATOM 1253 CB LEU A 87 3.624 2.006 -1.000 1.00 0.20 C ATOM 1254 CG LEU A 87 2.938 0.642 -1.097 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.524 0.714 -0.550 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.924 0.174 -2.534 1.00 0.22 C ATOM 0 H LEU A 87 5.684 1.240 0.428 1.00 0.18 H new ATOM 0 HA LEU A 87 5.153 1.668 -2.451 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.553 2.360 0.029 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.077 2.716 -1.620 1.00 0.20 H new ATOM 0 HG LEU A 87 3.499 -0.075 -0.497 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.053 -0.266 -0.628 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.554 1.020 0.496 1.00 0.24 H new ATOM 0 HD13 LEU A 87 0.948 1.440 -1.124 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.434 -0.798 -2.595 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.380 0.894 -3.146 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.948 0.088 -2.899 1.00 0.22 H new ATOM 1268 N THR A 88 5.926 4.028 -2.468 1.00 0.21 N ATOM 1269 CA THR A 88 6.647 5.280 -2.489 1.00 0.21 C ATOM 1270 C THR A 88 5.701 6.448 -2.728 1.00 0.21 C ATOM 1271 O THR A 88 4.792 6.383 -3.549 1.00 0.29 O ATOM 1272 CB THR A 88 7.748 5.249 -3.565 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.469 4.016 -3.468 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.720 6.405 -3.390 1.00 0.29 C ATOM 0 H THR A 88 5.661 3.673 -3.387 1.00 0.21 H new ATOM 0 HA THR A 88 7.116 5.418 -1.515 1.00 0.21 H new ATOM 0 HB THR A 88 7.274 5.339 -4.542 1.00 0.25 H new ATOM 0 HG1 THR A 88 8.233 3.439 -4.224 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.486 6.357 -4.164 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.181 7.349 -3.471 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.191 6.339 -2.409 1.00 0.29 H new ATOM 1282 N TYR A 89 5.922 7.502 -1.976 1.00 0.24 N ATOM 1283 CA TYR A 89 5.065 8.668 -1.989 1.00 0.27 C ATOM 1284 C TYR A 89 5.741 9.793 -2.775 1.00 0.27 C ATOM 1285 O TYR A 89 6.482 10.597 -2.203 1.00 0.30 O ATOM 1286 CB TYR A 89 4.811 9.091 -0.534 1.00 0.37 C ATOM 1287 CG TYR A 89 3.587 9.946 -0.323 1.00 0.45 C ATOM 1288 CD1 TYR A 89 2.863 10.428 -1.404 1.00 0.68 C ATOM 1289 CD2 TYR A 89 3.156 10.272 0.944 1.00 1.00 C ATOM 1290 CE1 TYR A 89 1.742 11.211 -1.215 1.00 0.69 C ATOM 1291 CE2 TYR A 89 2.040 11.053 1.139 1.00 1.11 C ATOM 1292 CZ TYR A 89 1.336 11.516 0.062 1.00 0.68 C ATOM 1293 OH TYR A 89 0.216 12.283 0.277 1.00 0.80 O ATOM 0 H TYR A 89 6.709 7.576 -1.331 1.00 0.24 H new ATOM 0 HA TYR A 89 4.114 8.444 -2.473 1.00 0.27 H new ATOM 0 HB2 TYR A 89 4.719 8.194 0.078 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.683 9.636 -0.172 1.00 0.37 H new ATOM 0 HD1 TYR A 89 3.181 10.187 -2.408 1.00 0.68 H new ATOM 0 HD2 TYR A 89 3.704 9.908 1.800 1.00 1.00 H new ATOM 0 HE1 TYR A 89 1.188 11.581 -2.065 1.00 0.69 H new ATOM 0 HE2 TYR A 89 1.721 11.300 2.141 1.00 1.11 H new ATOM 0 HH TYR A 89 0.078 12.398 1.240 1.00 0.80 H new ATOM 1303 N MET A 90 5.491 9.846 -4.084 1.00 0.29 N ATOM 1304 CA MET A 90 6.166 10.823 -4.952 1.00 0.34 C ATOM 1305 C MET A 90 5.156 11.509 -5.842 1.00 0.38 C ATOM 1306 O MET A 90 3.993 11.125 -5.882 1.00 0.47 O ATOM 1307 CB MET A 90 7.200 10.178 -5.889 1.00 0.37 C ATOM 1308 CG MET A 90 7.816 8.881 -5.402 1.00 0.36 C ATOM 1309 SD MET A 90 8.917 8.130 -6.628 1.00 0.65 S ATOM 1310 CE MET A 90 7.770 7.679 -7.938 1.00 0.54 C ATOM 0 H MET A 90 4.834 9.233 -4.566 1.00 0.29 H new ATOM 0 HA MET A 90 6.668 11.519 -4.280 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.724 9.993 -6.852 1.00 0.37 H new ATOM 0 HB3 MET A 90 8.002 10.896 -6.063 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.374 9.070 -4.485 1.00 0.36 H new ATOM 0 HG3 MET A 90 7.022 8.177 -5.152 1.00 0.36 H new ATOM 0 HE1 MET A 90 8.329 7.389 -8.828 1.00 0.54 H new ATOM 0 HE2 MET A 90 7.153 6.843 -7.609 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.132 8.531 -8.172 1.00 0.54 H new ATOM 1320 N ARG A 91 5.617 12.506 -6.576 1.00 0.40 N ATOM 1321 CA ARG A 91 4.816 13.117 -7.625 1.00 0.49 C ATOM 1322 C ARG A 91 4.908 12.273 -8.890 1.00 0.58 C ATOM 1323 O ARG A 91 5.963 12.155 -9.488 1.00 0.65 O ATOM 1324 CB ARG A 91 5.332 14.531 -7.917 1.00 0.55 C ATOM 1325 CG ARG A 91 4.472 15.659 -7.368 1.00 0.67 C ATOM 1326 CD ARG A 91 5.181 16.997 -7.507 1.00 0.79 C ATOM 1327 NE ARG A 91 4.392 18.116 -6.993 1.00 1.37 N ATOM 1328 CZ ARG A 91 4.917 19.280 -6.602 1.00 1.71 C ATOM 1329 NH1 ARG A 91 6.228 19.477 -6.659 1.00 1.74 N ATOM 1330 NH2 ARG A 91 4.126 20.249 -6.166 1.00 2.59 N ATOM 0 H ARG A 91 6.546 12.912 -6.465 1.00 0.40 H new ATOM 0 HA ARG A 91 3.778 13.174 -7.297 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.336 14.627 -7.504 1.00 0.55 H new ATOM 0 HB3 ARG A 91 5.418 14.654 -8.997 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.521 15.689 -7.900 1.00 0.67 H new ATOM 0 HG3 ARG A 91 4.244 15.471 -6.319 1.00 0.67 H new ATOM 0 HD2 ARG A 91 6.132 16.955 -6.976 1.00 0.79 H new ATOM 0 HD3 ARG A 91 5.410 17.173 -8.558 1.00 0.79 H new ATOM 0 HE ARG A 91 3.381 18.001 -6.929 1.00 1.37 H new ATOM 0 HH11 ARG A 91 6.840 18.737 -7.003 1.00 1.74 H new ATOM 0 HH12 ARG A 91 6.623 20.368 -6.359 1.00 1.74 H new ATOM 0 HH21 ARG A 91 3.117 20.106 -6.129 1.00 2.59 H new ATOM 0 HH22 ARG A 91 4.526 21.138 -5.867 1.00 2.59 H new ATOM 1344 N PRO A 92 3.780 11.672 -9.293 1.00 0.67 N ATOM 1345 CA PRO A 92 3.728 10.694 -10.388 1.00 0.81 C ATOM 1346 C PRO A 92 4.419 11.153 -11.667 1.00 0.91 C ATOM 1347 O PRO A 92 5.018 10.346 -12.374 1.00 1.04 O ATOM 1348 CB PRO A 92 2.230 10.501 -10.658 1.00 0.92 C ATOM 1349 CG PRO A 92 1.494 11.388 -9.701 1.00 0.88 C ATOM 1350 CD PRO A 92 2.473 11.860 -8.662 1.00 0.72 C ATOM 0 HA PRO A 92 4.255 9.785 -10.097 1.00 0.81 H new ATOM 0 HB2 PRO A 92 1.987 10.760 -11.689 1.00 0.92 H new ATOM 0 HB3 PRO A 92 1.944 9.459 -10.516 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.057 12.237 -10.227 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.673 10.846 -9.233 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.303 12.904 -8.399 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.388 11.282 -7.742 1.00 0.72 H new ATOM 1358 N TRP A 93 4.340 12.443 -11.960 1.00 0.90 N ATOM 1359 CA TRP A 93 4.917 12.978 -13.186 1.00 1.03 C ATOM 1360 C TRP A 93 6.402 13.304 -13.018 1.00 1.03 C ATOM 1361 O TRP A 93 7.045 13.798 -13.945 1.00 1.17 O ATOM 1362 CB TRP A 93 4.138 14.216 -13.655 1.00 1.08 C ATOM 1363 CG TRP A 93 3.976 15.279 -12.609 1.00 0.98 C ATOM 1364 CD1 TRP A 93 4.770 16.375 -12.417 1.00 1.01 C ATOM 1365 CD2 TRP A 93 2.946 15.353 -11.618 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.299 17.119 -11.364 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.180 16.514 -10.857 1.00 0.94 C ATOM 1368 CE3 TRP A 93 1.850 14.550 -11.300 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.355 16.889 -9.801 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 1.036 14.921 -10.250 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.292 16.082 -9.510 1.00 0.99 C ATOM 0 H TRP A 93 3.884 13.137 -11.368 1.00 0.90 H new ATOM 0 HA TRP A 93 4.837 12.206 -13.951 1.00 1.03 H new ATOM 0 HB2 TRP A 93 4.648 14.646 -14.517 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.150 13.902 -13.993 1.00 1.08 H new ATOM 0 HD1 TRP A 93 5.641 16.620 -13.007 1.00 1.01 H new ATOM 0 HE1 TRP A 93 4.715 17.983 -11.016 1.00 0.98 H new ATOM 0 HE3 TRP A 93 1.643 13.654 -11.866 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.548 17.786 -9.232 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.186 14.305 -9.994 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.636 16.345 -8.693 1.00 0.99 H new ATOM 1382 N THR A 94 6.943 13.023 -11.836 1.00 0.91 N ATOM 1383 CA THR A 94 8.361 13.215 -11.573 1.00 0.95 C ATOM 1384 C THR A 94 8.764 12.607 -10.218 1.00 0.86 C ATOM 1385 O THR A 94 9.363 11.532 -10.182 1.00 1.07 O ATOM 1386 CB THR A 94 8.770 14.712 -11.658 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.126 14.882 -11.227 1.00 1.09 O ATOM 1388 CG2 THR A 94 7.847 15.608 -10.836 1.00 0.85 C ATOM 0 H THR A 94 6.415 12.660 -11.043 1.00 0.91 H new ATOM 0 HA THR A 94 8.906 12.686 -12.355 1.00 0.95 H new ATOM 0 HB THR A 94 8.678 15.013 -12.702 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.372 15.829 -11.287 1.00 1.09 H new ATOM 0 HG21 THR A 94 8.172 16.645 -10.926 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.826 15.514 -11.205 1.00 0.85 H new ATOM 0 HG23 THR A 94 7.884 15.306 -9.789 1.00 0.85 H new ATOM 1396 N GLY A 95 8.397 13.258 -9.114 1.00 0.64 N ATOM 1397 CA GLY A 95 8.819 12.793 -7.806 1.00 0.60 C ATOM 1398 C GLY A 95 10.228 13.247 -7.515 1.00 0.70 C ATOM 1399 O GLY A 95 11.184 12.746 -8.107 1.00 1.16 O ATOM 0 H GLY A 95 7.816 14.097 -9.105 1.00 0.64 H new ATOM 0 HA2 GLY A 95 8.142 13.175 -7.042 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.765 11.705 -7.765 1.00 0.60 H new ATOM 1403 N PRO A 96 10.381 14.210 -6.603 1.00 0.64 N ATOM 1404 CA PRO A 96 11.658 14.872 -6.325 1.00 0.90 C ATOM 1405 C PRO A 96 12.644 13.997 -5.554 1.00 0.98 C ATOM 1406 O PRO A 96 13.315 14.488 -4.655 1.00 1.17 O ATOM 1407 CB PRO A 96 11.251 16.081 -5.465 1.00 1.02 C ATOM 1408 CG PRO A 96 9.764 16.147 -5.537 1.00 1.20 C ATOM 1409 CD PRO A 96 9.313 14.742 -5.760 1.00 0.97 C ATOM 0 HA PRO A 96 12.177 15.125 -7.250 1.00 0.90 H new ATOM 0 HB2 PRO A 96 11.588 15.960 -4.435 1.00 1.02 H new ATOM 0 HB3 PRO A 96 11.702 16.999 -5.842 1.00 1.02 H new ATOM 0 HG2 PRO A 96 9.344 16.553 -4.616 1.00 1.20 H new ATOM 0 HG3 PRO A 96 9.439 16.797 -6.349 1.00 1.20 H new ATOM 0 HD2 PRO A 96 9.219 14.191 -4.825 1.00 0.97 H new ATOM 0 HD3 PRO A 96 8.343 14.699 -6.255 1.00 0.97 H new ATOM 1417 N SER A 97 12.708 12.711 -5.919 1.00 1.20 N ATOM 1418 CA SER A 97 13.640 11.729 -5.343 1.00 1.48 C ATOM 1419 C SER A 97 13.727 11.824 -3.815 1.00 1.31 C ATOM 1420 O SER A 97 13.006 11.127 -3.098 1.00 1.86 O ATOM 1421 CB SER A 97 15.031 11.884 -5.975 1.00 2.04 C ATOM 1422 OG SER A 97 15.850 10.748 -5.725 1.00 2.64 O ATOM 0 H SER A 97 12.102 12.314 -6.637 1.00 1.20 H new ATOM 0 HA SER A 97 13.248 10.739 -5.574 1.00 1.48 H new ATOM 0 HB2 SER A 97 14.928 12.030 -7.050 1.00 2.04 H new ATOM 0 HB3 SER A 97 15.514 12.776 -5.577 1.00 2.04 H new ATOM 0 HG SER A 97 16.727 10.879 -6.142 1.00 2.64 H new ATOM 1428 N HIS A 98 14.588 12.716 -3.328 1.00 1.20 N ATOM 1429 CA HIS A 98 14.819 12.882 -1.897 1.00 1.22 C ATOM 1430 C HIS A 98 13.574 13.431 -1.209 1.00 0.98 C ATOM 1431 O HIS A 98 13.400 13.272 0.000 1.00 1.07 O ATOM 1432 CB HIS A 98 15.984 13.850 -1.635 1.00 1.58 C ATOM 1433 CG HIS A 98 17.257 13.529 -2.357 1.00 2.34 C ATOM 1434 ND1 HIS A 98 18.126 12.537 -1.959 1.00 3.02 N ATOM 1435 CD2 HIS A 98 17.823 14.101 -3.445 1.00 3.23 C ATOM 1436 CE1 HIS A 98 19.166 12.515 -2.768 1.00 3.95 C ATOM 1437 NE2 HIS A 98 19.010 13.455 -3.679 1.00 4.09 N ATOM 0 H HIS A 98 15.142 13.341 -3.913 1.00 1.20 H new ATOM 0 HA HIS A 98 15.062 11.899 -1.494 1.00 1.22 H new ATOM 0 HB2 HIS A 98 15.670 14.855 -1.916 1.00 1.58 H new ATOM 0 HB3 HIS A 98 16.187 13.867 -0.564 1.00 1.58 H new ATOM 0 HD2 HIS A 98 17.415 14.917 -4.023 1.00 3.23 H new ATOM 0 HE1 HIS A 98 20.006 11.840 -2.697 1.00 3.95 H new ATOM 0 HE2 HIS A 98 19.664 13.667 -4.433 1.00 4.09 H new ATOM 1446 N ASP A 99 12.698 14.067 -1.986 1.00 0.79 N ATOM 1447 CA ASP A 99 11.567 14.783 -1.419 1.00 0.79 C ATOM 1448 C ASP A 99 10.345 13.871 -1.353 1.00 0.77 C ATOM 1449 O ASP A 99 9.258 14.281 -0.954 1.00 1.35 O ATOM 1450 CB ASP A 99 11.287 16.041 -2.252 1.00 0.96 C ATOM 1451 CG ASP A 99 10.401 17.040 -1.540 1.00 1.18 C ATOM 1452 OD1 ASP A 99 10.550 17.211 -0.311 1.00 1.35 O ATOM 1453 OD2 ASP A 99 9.527 17.642 -2.200 1.00 1.67 O ATOM 0 H ASP A 99 12.753 14.098 -3.004 1.00 0.79 H new ATOM 0 HA ASP A 99 11.802 15.092 -0.401 1.00 0.79 H new ATOM 0 HB2 ASP A 99 12.233 16.519 -2.506 1.00 0.96 H new ATOM 0 HB3 ASP A 99 10.815 15.750 -3.191 1.00 0.96 H new ATOM 1458 N SER A 100 10.548 12.619 -1.730 1.00 0.51 N ATOM 1459 CA SER A 100 9.491 11.625 -1.712 1.00 0.45 C ATOM 1460 C SER A 100 9.535 10.815 -0.415 1.00 0.46 C ATOM 1461 O SER A 100 10.610 10.549 0.131 1.00 0.69 O ATOM 1462 CB SER A 100 9.652 10.695 -2.914 1.00 0.55 C ATOM 1463 OG SER A 100 9.871 11.439 -4.105 1.00 1.39 O ATOM 0 H SER A 100 11.448 12.266 -2.056 1.00 0.51 H new ATOM 0 HA SER A 100 8.527 12.131 -1.767 1.00 0.45 H new ATOM 0 HB2 SER A 100 10.489 10.017 -2.745 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.760 10.079 -3.024 1.00 0.55 H new ATOM 0 HG SER A 100 9.973 10.824 -4.861 1.00 1.39 H new ATOM 1469 N GLU A 101 8.363 10.437 0.081 1.00 0.35 N ATOM 1470 CA GLU A 101 8.265 9.588 1.264 1.00 0.40 C ATOM 1471 C GLU A 101 8.031 8.145 0.814 1.00 0.40 C ATOM 1472 O GLU A 101 7.950 7.890 -0.383 1.00 0.68 O ATOM 1473 CB GLU A 101 7.134 10.091 2.180 1.00 0.46 C ATOM 1474 CG GLU A 101 7.077 9.411 3.544 1.00 0.62 C ATOM 1475 CD GLU A 101 8.426 9.362 4.234 1.00 1.06 C ATOM 1476 OE1 GLU A 101 8.749 10.320 4.967 1.00 1.19 O ATOM 1477 OE2 GLU A 101 9.165 8.372 4.058 1.00 1.91 O ATOM 0 H GLU A 101 7.464 10.706 -0.319 1.00 0.35 H new ATOM 0 HA GLU A 101 9.190 9.628 1.839 1.00 0.40 H new ATOM 0 HB2 GLU A 101 7.253 11.164 2.328 1.00 0.46 H new ATOM 0 HB3 GLU A 101 6.180 9.943 1.674 1.00 0.46 H new ATOM 0 HG2 GLU A 101 6.368 9.941 4.180 1.00 0.62 H new ATOM 0 HG3 GLU A 101 6.699 8.396 3.423 1.00 0.62 H new ATOM 1484 N ARG A 102 7.949 7.202 1.745 1.00 0.22 N ATOM 1485 CA ARG A 102 7.731 5.809 1.384 1.00 0.18 C ATOM 1486 C ARG A 102 7.218 5.017 2.583 1.00 0.17 C ATOM 1487 O ARG A 102 7.580 5.279 3.730 1.00 0.20 O ATOM 1488 CB ARG A 102 9.040 5.202 0.843 1.00 0.23 C ATOM 1489 CG ARG A 102 8.867 3.909 0.056 1.00 0.26 C ATOM 1490 CD ARG A 102 10.172 3.482 -0.600 1.00 0.36 C ATOM 1491 NE ARG A 102 9.977 2.432 -1.610 1.00 0.37 N ATOM 1492 CZ ARG A 102 10.975 1.800 -2.233 1.00 0.44 C ATOM 1493 NH1 ARG A 102 12.240 2.129 -1.984 1.00 0.62 N ATOM 1494 NH2 ARG A 102 10.709 0.854 -3.126 1.00 0.52 N ATOM 0 H ARG A 102 8.030 7.375 2.747 1.00 0.22 H new ATOM 0 HA ARG A 102 6.972 5.759 0.603 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.528 5.938 0.204 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.710 5.014 1.681 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.517 3.120 0.721 1.00 0.26 H new ATOM 0 HG3 ARG A 102 8.101 4.045 -0.708 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.641 4.348 -1.067 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.859 3.122 0.166 1.00 0.36 H new ATOM 0 HE ARG A 102 9.021 2.170 -1.850 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.452 2.868 -1.314 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.997 1.642 -2.463 1.00 0.62 H new ATOM 0 HH21 ARG A 102 9.742 0.609 -3.337 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.472 0.372 -3.601 1.00 0.52 H new ATOM 1508 N PHE A 103 6.346 4.074 2.288 1.00 0.15 N ATOM 1509 CA PHE A 103 5.738 3.203 3.272 1.00 0.17 C ATOM 1510 C PHE A 103 6.383 1.827 3.189 1.00 0.18 C ATOM 1511 O PHE A 103 6.924 1.465 2.144 1.00 0.21 O ATOM 1512 CB PHE A 103 4.226 3.134 2.991 1.00 0.18 C ATOM 1513 CG PHE A 103 3.599 1.808 3.270 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.637 0.805 2.322 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.992 1.564 4.483 1.00 0.55 C ATOM 1516 CE1 PHE A 103 3.079 -0.421 2.578 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.434 0.339 4.745 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.479 -0.652 3.791 1.00 0.86 C ATOM 0 H PHE A 103 6.034 3.888 1.335 1.00 0.15 H new ATOM 0 HA PHE A 103 5.890 3.585 4.281 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.724 3.892 3.592 1.00 0.18 H new ATOM 0 HB3 PHE A 103 4.053 3.390 1.946 1.00 0.18 H new ATOM 0 HD1 PHE A 103 4.111 0.988 1.369 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.956 2.342 5.231 1.00 0.55 H new ATOM 0 HE1 PHE A 103 3.111 -1.200 1.830 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.960 0.152 5.698 1.00 0.78 H new ATOM 0 HZ PHE A 103 2.040 -1.617 3.998 1.00 0.86 H new ATOM 1528 N THR A 104 6.331 1.055 4.268 1.00 0.17 N ATOM 1529 CA THR A 104 6.931 -0.261 4.262 1.00 0.19 C ATOM 1530 C THR A 104 6.316 -1.155 5.326 1.00 0.17 C ATOM 1531 O THR A 104 6.613 -1.016 6.512 1.00 0.18 O ATOM 1532 CB THR A 104 8.452 -0.185 4.503 1.00 0.24 C ATOM 1533 OG1 THR A 104 9.086 0.570 3.460 1.00 0.31 O ATOM 1534 CG2 THR A 104 9.053 -1.578 4.567 1.00 0.26 C ATOM 0 H THR A 104 5.884 1.319 5.146 1.00 0.17 H new ATOM 0 HA THR A 104 6.740 -0.686 3.277 1.00 0.19 H new ATOM 0 HB THR A 104 8.621 0.315 5.457 1.00 0.24 H new ATOM 0 HG1 THR A 104 8.474 0.655 2.699 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.127 -1.503 4.738 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.594 -2.135 5.383 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.870 -2.097 3.626 1.00 0.26 H new ATOM 1542 N VAL A 105 5.454 -2.066 4.916 1.00 0.17 N ATOM 1543 CA VAL A 105 5.027 -3.104 5.824 1.00 0.17 C ATOM 1544 C VAL A 105 5.630 -4.434 5.412 1.00 0.21 C ATOM 1545 O VAL A 105 5.702 -4.766 4.225 1.00 0.25 O ATOM 1546 CB VAL A 105 3.492 -3.232 5.909 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.916 -3.712 4.592 1.00 0.79 C ATOM 1548 CG2 VAL A 105 3.097 -4.171 7.038 1.00 0.88 C ATOM 0 H VAL A 105 5.046 -2.107 3.982 1.00 0.17 H new ATOM 0 HA VAL A 105 5.381 -2.822 6.816 1.00 0.17 H new ATOM 0 HB VAL A 105 3.080 -2.245 6.120 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.832 -3.794 4.677 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.165 -3.000 3.805 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.336 -4.687 4.345 1.00 0.79 H new ATOM 0 HG21 VAL A 105 2.011 -4.249 7.083 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.525 -5.157 6.857 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.472 -3.781 7.984 1.00 0.88 H new ATOM 1558 N TYR A 106 6.100 -5.165 6.395 1.00 0.24 N ATOM 1559 CA TYR A 106 6.584 -6.508 6.176 1.00 0.28 C ATOM 1560 C TYR A 106 5.570 -7.486 6.728 1.00 0.27 C ATOM 1561 O TYR A 106 5.467 -7.671 7.938 1.00 0.36 O ATOM 1562 CB TYR A 106 7.918 -6.731 6.880 1.00 0.38 C ATOM 1563 CG TYR A 106 9.047 -5.847 6.407 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.753 -6.153 5.251 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.395 -4.700 7.107 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.774 -5.337 4.802 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.418 -3.882 6.667 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.149 -4.236 5.562 1.00 0.58 C ATOM 1569 OH TYR A 106 12.119 -3.387 5.067 1.00 0.70 O ATOM 0 H TYR A 106 6.158 -4.849 7.363 1.00 0.24 H new ATOM 0 HA TYR A 106 6.727 -6.658 5.106 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.778 -6.574 7.949 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.212 -7.772 6.747 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.500 -7.043 4.694 1.00 0.48 H new ATOM 0 HD2 TYR A 106 8.858 -4.443 8.008 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.275 -5.553 3.870 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.642 -2.965 7.192 1.00 0.57 H new ATOM 0 HH TYR A 106 12.277 -2.662 5.707 1.00 0.70 H new ATOM 1579 N LEU A 107 4.810 -8.094 5.854 1.00 0.26 N ATOM 1580 CA LEU A 107 3.853 -9.094 6.274 1.00 0.29 C ATOM 1581 C LEU A 107 4.087 -10.367 5.490 1.00 0.31 C ATOM 1582 O LEU A 107 4.560 -10.320 4.364 1.00 0.45 O ATOM 1583 CB LEU A 107 2.391 -8.575 6.174 1.00 0.39 C ATOM 1584 CG LEU A 107 1.791 -8.249 4.782 1.00 1.33 C ATOM 1585 CD1 LEU A 107 2.635 -7.247 4.022 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.558 -9.503 3.948 1.00 2.02 C ATOM 0 H LEU A 107 4.832 -7.918 4.850 1.00 0.26 H new ATOM 0 HA LEU A 107 4.003 -9.317 7.330 1.00 0.29 H new ATOM 0 HB2 LEU A 107 1.747 -9.320 6.641 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.323 -7.671 6.779 1.00 0.39 H new ATOM 0 HG LEU A 107 0.819 -7.793 4.968 1.00 1.33 H new ATOM 0 HD11 LEU A 107 2.178 -7.047 3.053 1.00 2.12 H new ATOM 0 HD12 LEU A 107 2.699 -6.319 4.591 1.00 2.12 H new ATOM 0 HD13 LEU A 107 3.636 -7.652 3.875 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.137 -9.224 2.982 1.00 2.02 H new ATOM 0 HD22 LEU A 107 2.506 -10.020 3.796 1.00 2.02 H new ATOM 0 HD23 LEU A 107 0.865 -10.163 4.469 1.00 2.02 H new ATOM 1598 N LYS A 108 3.773 -11.503 6.074 1.00 0.25 N ATOM 1599 CA LYS A 108 4.058 -12.763 5.418 1.00 0.26 C ATOM 1600 C LYS A 108 2.788 -13.319 4.831 1.00 0.24 C ATOM 1601 O LYS A 108 1.862 -13.635 5.566 1.00 0.29 O ATOM 1602 CB LYS A 108 4.659 -13.776 6.388 1.00 0.32 C ATOM 1603 CG LYS A 108 5.352 -14.918 5.672 1.00 0.45 C ATOM 1604 CD LYS A 108 5.782 -16.012 6.638 1.00 0.76 C ATOM 1605 CE LYS A 108 6.719 -17.016 5.976 1.00 1.34 C ATOM 1606 NZ LYS A 108 6.095 -17.709 4.814 1.00 1.89 N ATOM 0 H LYS A 108 3.327 -11.582 6.988 1.00 0.25 H new ATOM 0 HA LYS A 108 4.788 -12.578 4.630 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.373 -13.272 7.040 1.00 0.32 H new ATOM 0 HB3 LYS A 108 3.871 -14.175 7.027 1.00 0.32 H new ATOM 0 HG2 LYS A 108 4.681 -15.338 4.923 1.00 0.45 H new ATOM 0 HG3 LYS A 108 6.225 -14.538 5.141 1.00 0.45 H new ATOM 0 HD2 LYS A 108 6.279 -15.563 7.498 1.00 0.76 H new ATOM 0 HD3 LYS A 108 4.901 -16.531 7.015 1.00 0.76 H new ATOM 0 HE2 LYS A 108 7.621 -16.501 5.645 1.00 1.34 H new ATOM 0 HE3 LYS A 108 7.028 -17.758 6.712 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 6.122 -18.737 4.968 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 5.107 -17.399 4.715 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 6.620 -17.475 3.947 1.00 1.89 H new ATOM 1620 N ALA A 109 2.785 -13.499 3.521 1.00 0.24 N ATOM 1621 CA ALA A 109 1.576 -13.833 2.797 1.00 0.28 C ATOM 1622 C ALA A 109 1.542 -15.316 2.519 1.00 0.34 C ATOM 1623 O ALA A 109 2.389 -15.845 1.803 1.00 0.53 O ATOM 1624 CB ALA A 109 1.499 -13.041 1.499 1.00 0.37 C ATOM 0 H ALA A 109 3.616 -13.418 2.935 1.00 0.24 H new ATOM 0 HA ALA A 109 0.711 -13.570 3.406 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.585 -13.303 0.966 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.495 -11.974 1.723 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.362 -13.278 0.877 1.00 0.37 H new ATOM 1630 N ASN A 110 0.555 -15.968 3.113 1.00 0.41 N ATOM 1631 CA ASN A 110 0.454 -17.424 3.117 1.00 0.54 C ATOM 1632 C ASN A 110 -0.811 -17.869 3.829 1.00 0.95 C ATOM 1633 O ASN A 110 -1.548 -18.709 3.273 1.00 1.35 O ATOM 1634 CB ASN A 110 1.678 -18.091 3.765 1.00 0.56 C ATOM 1635 CG ASN A 110 2.266 -17.351 4.966 1.00 0.80 C ATOM 1636 OD1 ASN A 110 3.459 -17.454 5.226 1.00 1.58 O ATOM 1637 ND2 ASN A 110 1.461 -16.612 5.709 1.00 0.56 N ATOM 1638 OXT ASN A 110 -1.084 -17.343 4.924 1.00 1.78 O ATOM 0 H ASN A 110 -0.204 -15.502 3.610 1.00 0.41 H new ATOM 0 HA ASN A 110 0.416 -17.742 2.075 1.00 0.54 H new ATOM 0 HB2 ASN A 110 1.399 -19.097 4.080 1.00 0.56 H new ATOM 0 HB3 ASN A 110 2.456 -18.198 3.009 1.00 0.56 H new ATOM 0 HD21 ASN A 110 1.829 -16.112 6.518 1.00 0.56 H new ATOM 0 HD22 ASN A 110 0.471 -16.541 5.473 1.00 0.56 H new