USER MOD reduce.3.24.130724 H: found=0, std=0, add=1206, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1204 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 104 GLN : amide:sc= -1.19 X(o=0.93,f=1.2) USER MOD Set 1.2: A 152 ASN : amide:sc= 2.13 K(o=0.93,f=-0.46) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.366 X(o=-0.66,f=-0.5) USER MOD Set 2.2: A 27 THR OG1 : rot 173:sc= -0.0553 USER MOD Set 2.3: A 71 MET CE :methyl -134:sc= -0.243 (180deg=-0.442) USER MOD Set 3.1: A 44 TYR OH : rot 159:sc= 1.06 USER MOD Set 3.2: A 93 THR OG1 : rot 164:sc= 1.31 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.325 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.12 (180deg=-0.203) USER MOD Single : A 3 LYS NZ :NH3+ -125:sc= 0.765 (180deg=0.596) USER MOD Single : A 5 GLN : amide:sc=-0.00432 X(o=-0.0043,f=-0.033) USER MOD Single : A 7 ASN : amide:sc= -0.0205 K(o=-0.02,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -11.9! C(o=-12!,f=-10!) USER MOD Single : A 16 SER OG : rot 79:sc= 1.24 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.51! C(o=-2.5!,f=-8.7!) USER MOD Single : A 23 GLN : amide:sc= -5.82! K(o=-5.8!,f=-1.4) USER MOD Single : A 30 CYS SG : rot 143:sc= -0.474 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.1) USER MOD Single : A 47 SER OG : rot 26:sc= -0.351! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.6 K(o=-2.6,f=-4.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -0.128 X(o=-0.13,f=-0.27) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -1.55 K(o=-1.5,f=-5.6!) USER MOD Single : A 98 THR OG1 : rot 142:sc= 1.21 USER MOD Single : A 99 CYS SG : rot -115:sc= 1.48 USER MOD Single : A 100 THR OG1 : rot 130:sc= 0.074 USER MOD Single : A 101 TYR OH : rot -121:sc= 0.148 USER MOD Single : A 111 TYR OH : rot -66:sc= -0.118 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.58) USER MOD Single : A 115 ASN : amide:sc= -1.46 K(o=-1.5,f=-7.6!) USER MOD Single : A 117 TYR OH : rot 23:sc= -3.25! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.022 X(o=0.022,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 164:sc= -0.0623 (180deg=-0.361) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 162:sc= 1.27 (180deg=0.884) USER MOD Single : A 136 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.05) USER MOD Single : A 138 ASN : amide:sc= -0.237 K(o=-0.24,f=-3.2!) USER MOD Single : A 142 SER OG : rot -27:sc= 0.0708 USER MOD Single : A 143 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.6!) USER MOD Single : A 147 THR OG1 : rot -129:sc= 0.841 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.495 0.973 8.230 1.00 2.96 N ATOM 2 CA MET A 1 -23.234 2.152 7.376 1.00 2.49 C ATOM 3 C MET A 1 -22.186 1.827 6.316 1.00 1.61 C ATOM 4 O MET A 1 -22.035 2.559 5.342 1.00 2.04 O ATOM 5 CB MET A 1 -22.760 3.351 8.211 1.00 2.65 C ATOM 6 CG MET A 1 -21.369 3.175 8.804 1.00 2.26 C ATOM 7 SD MET A 1 -20.717 4.694 9.530 1.00 2.63 S ATOM 8 CE MET A 1 -20.711 5.788 8.104 1.00 2.46 C ATOM 0 H1 MET A 1 -24.303 1.169 8.855 1.00 2.96 H new ATOM 0 H2 MET A 1 -23.712 0.151 7.631 1.00 2.96 H new ATOM 0 H3 MET A 1 -22.654 0.769 8.806 1.00 2.96 H new ATOM 0 HA MET A 1 -24.172 2.415 6.888 1.00 2.49 H new ATOM 0 HB2 MET A 1 -22.768 4.243 7.585 1.00 2.65 H new ATOM 0 HB3 MET A 1 -23.471 3.522 9.020 1.00 2.65 H new ATOM 0 HG2 MET A 1 -21.401 2.398 9.568 1.00 2.26 H new ATOM 0 HG3 MET A 1 -20.689 2.829 8.026 1.00 2.26 H new ATOM 0 HE1 MET A 1 -19.964 6.568 8.247 1.00 2.46 H new ATOM 0 HE2 MET A 1 -20.471 5.216 7.208 1.00 2.46 H new ATOM 0 HE3 MET A 1 -21.695 6.244 7.991 1.00 2.46 H new ATOM 18 N ALA A 2 -21.459 0.730 6.505 1.00 0.91 N ATOM 19 CA ALA A 2 -20.398 0.360 5.580 1.00 0.66 C ATOM 20 C ALA A 2 -20.879 -0.701 4.604 1.00 0.57 C ATOM 21 O ALA A 2 -21.439 -1.715 5.008 1.00 0.68 O ATOM 22 CB ALA A 2 -19.175 -0.128 6.343 1.00 1.48 C ATOM 0 H ALA A 2 -21.585 0.086 7.286 1.00 0.91 H new ATOM 0 HA ALA A 2 -20.118 1.244 5.008 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -18.391 -0.401 5.637 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -18.814 0.665 6.998 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -19.443 -0.999 6.942 1.00 1.48 H new ATOM 28 N LYS A 3 -20.675 -0.457 3.318 1.00 0.46 N ATOM 29 CA LYS A 3 -21.086 -1.409 2.294 1.00 0.45 C ATOM 30 C LYS A 3 -19.927 -2.323 1.912 1.00 0.35 C ATOM 31 O LYS A 3 -20.106 -3.301 1.192 1.00 0.36 O ATOM 32 CB LYS A 3 -21.647 -0.691 1.057 1.00 0.54 C ATOM 33 CG LYS A 3 -22.982 0.006 1.306 1.00 0.82 C ATOM 34 CD LYS A 3 -22.812 1.330 2.036 1.00 0.81 C ATOM 35 CE LYS A 3 -23.967 1.611 2.986 1.00 0.91 C ATOM 36 NZ LYS A 3 -25.294 1.543 2.321 1.00 0.98 N ATOM 0 H LYS A 3 -20.230 0.387 2.959 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.884 -2.023 2.710 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.920 0.046 0.715 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.770 -1.415 0.252 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -23.482 0.180 0.353 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.628 -0.649 1.890 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.877 1.317 2.596 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.737 2.138 1.308 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.940 0.892 3.805 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.837 2.600 3.425 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.808 2.433 2.479 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -25.163 1.395 1.300 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.841 0.753 2.718 1.00 0.98 H new ATOM 50 N VAL A 4 -18.742 -2.003 2.416 1.00 0.32 N ATOM 51 CA VAL A 4 -17.555 -2.819 2.211 1.00 0.29 C ATOM 52 C VAL A 4 -16.739 -2.855 3.493 1.00 0.33 C ATOM 53 O VAL A 4 -16.351 -1.816 4.028 1.00 0.45 O ATOM 54 CB VAL A 4 -16.676 -2.314 1.031 1.00 0.28 C ATOM 55 CG1 VAL A 4 -15.205 -2.661 1.242 1.00 0.31 C ATOM 56 CG2 VAL A 4 -17.156 -2.920 -0.278 1.00 0.27 C ATOM 0 H VAL A 4 -18.578 -1.169 2.979 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.888 -3.823 1.948 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.771 -1.229 0.990 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.620 -2.293 0.399 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.849 -2.195 2.161 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -15.093 -3.743 1.317 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.533 -2.559 -1.096 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -17.088 -4.006 -0.222 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -18.192 -2.630 -0.455 1.00 0.27 H new ATOM 66 N GLN A 5 -16.515 -4.051 3.994 1.00 0.30 N ATOM 67 CA GLN A 5 -15.737 -4.247 5.198 1.00 0.34 C ATOM 68 C GLN A 5 -14.546 -5.140 4.892 1.00 0.31 C ATOM 69 O GLN A 5 -14.692 -6.351 4.718 1.00 0.32 O ATOM 70 CB GLN A 5 -16.615 -4.864 6.289 1.00 0.41 C ATOM 71 CG GLN A 5 -15.905 -5.137 7.605 1.00 0.72 C ATOM 72 CD GLN A 5 -15.334 -3.891 8.257 1.00 0.81 C ATOM 73 OE1 GLN A 5 -16.029 -3.185 8.989 1.00 1.33 O ATOM 74 NE2 GLN A 5 -14.054 -3.638 8.032 1.00 1.39 N ATOM 0 H GLN A 5 -16.867 -4.914 3.579 1.00 0.30 H new ATOM 0 HA GLN A 5 -15.369 -3.286 5.558 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -17.456 -4.197 6.478 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -17.029 -5.801 5.915 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -16.605 -5.610 8.294 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -15.098 -5.849 7.432 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.514 -4.248 7.419 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -13.608 -2.833 8.472 1.00 1.39 H new ATOM 83 N VAL A 6 -13.378 -4.532 4.769 1.00 0.32 N ATOM 84 CA VAL A 6 -12.159 -5.283 4.524 1.00 0.34 C ATOM 85 C VAL A 6 -11.791 -6.077 5.770 1.00 0.38 C ATOM 86 O VAL A 6 -11.667 -5.518 6.860 1.00 0.60 O ATOM 87 CB VAL A 6 -10.985 -4.366 4.128 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.765 -5.195 3.764 1.00 1.12 C ATOM 89 CG2 VAL A 6 -11.373 -3.453 2.973 1.00 1.32 C ATOM 0 H VAL A 6 -13.248 -3.522 4.835 1.00 0.32 H new ATOM 0 HA VAL A 6 -12.347 -5.958 3.689 1.00 0.34 H new ATOM 0 HB VAL A 6 -10.738 -3.740 4.986 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.945 -4.533 3.487 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -9.469 -5.801 4.620 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -10.005 -5.846 2.924 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -10.528 -2.816 2.713 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -11.652 -4.057 2.110 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -12.218 -2.831 3.269 1.00 1.32 H new ATOM 99 N ASN A 7 -11.635 -7.381 5.607 1.00 0.32 N ATOM 100 CA ASN A 7 -11.387 -8.261 6.736 1.00 0.36 C ATOM 101 C ASN A 7 -9.940 -8.727 6.751 1.00 0.37 C ATOM 102 O ASN A 7 -9.179 -8.389 7.655 1.00 0.46 O ATOM 103 CB ASN A 7 -12.327 -9.469 6.693 1.00 0.37 C ATOM 104 CG ASN A 7 -13.782 -9.091 6.913 1.00 0.45 C ATOM 105 OD1 ASN A 7 -14.092 -8.152 7.644 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.685 -9.820 6.278 1.00 0.53 N ATOM 0 H ASN A 7 -11.676 -7.853 4.704 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.579 -7.698 7.650 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.228 -9.967 5.728 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -12.024 -10.187 7.455 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.677 -9.611 6.386 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -14.389 -10.591 5.680 1.00 0.53 H new ATOM 113 N ASN A 8 -9.560 -9.488 5.736 1.00 0.33 N ATOM 114 CA ASN A 8 -8.222 -10.055 5.674 1.00 0.39 C ATOM 115 C ASN A 8 -7.341 -9.256 4.727 1.00 0.39 C ATOM 116 O ASN A 8 -7.673 -9.085 3.557 1.00 0.48 O ATOM 117 CB ASN A 8 -8.275 -11.520 5.235 1.00 0.44 C ATOM 118 CG ASN A 8 -6.892 -12.109 5.027 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.245 -12.549 5.978 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.437 -12.137 3.784 1.00 1.47 N ATOM 0 H ASN A 8 -10.158 -9.727 4.945 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.790 -10.007 6.673 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.807 -12.103 5.987 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.844 -11.599 4.309 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.518 -12.534 3.586 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -7.005 -11.762 3.024 1.00 1.47 H new ATOM 127 N VAL A 9 -6.229 -8.761 5.240 1.00 0.42 N ATOM 128 CA VAL A 9 -5.262 -8.053 4.419 1.00 0.45 C ATOM 129 C VAL A 9 -3.878 -8.635 4.658 1.00 0.50 C ATOM 130 O VAL A 9 -3.333 -8.515 5.756 1.00 0.60 O ATOM 131 CB VAL A 9 -5.224 -6.540 4.726 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.505 -5.793 3.612 1.00 0.78 C ATOM 133 CG2 VAL A 9 -6.623 -5.980 4.934 1.00 1.01 C ATOM 0 H VAL A 9 -5.972 -8.836 6.224 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.566 -8.177 3.380 1.00 0.45 H new ATOM 0 HB VAL A 9 -4.672 -6.399 5.655 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.486 -4.728 3.842 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -3.484 -6.164 3.525 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -5.030 -5.952 2.670 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -6.560 -4.913 5.148 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -7.215 -6.135 4.032 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -7.098 -6.491 5.772 1.00 1.01 H new ATOM 143 N VAL A 10 -3.327 -9.291 3.652 1.00 0.52 N ATOM 144 CA VAL A 10 -2.013 -9.878 3.767 1.00 0.61 C ATOM 145 C VAL A 10 -1.142 -9.490 2.575 1.00 0.47 C ATOM 146 O VAL A 10 -1.574 -9.565 1.423 1.00 0.48 O ATOM 147 CB VAL A 10 -2.101 -11.414 3.899 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.969 -12.005 2.803 1.00 1.54 C ATOM 149 CG2 VAL A 10 -0.720 -12.033 3.872 1.00 1.24 C ATOM 0 H VAL A 10 -3.774 -9.428 2.746 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.549 -9.488 4.673 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.563 -11.642 4.859 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -3.014 -13.088 2.919 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -3.975 -11.590 2.872 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -2.542 -11.762 1.830 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -0.805 -13.116 3.966 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -0.230 -11.788 2.930 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -0.130 -11.642 4.701 1.00 1.24 H new ATOM 159 N VAL A 11 0.066 -9.036 2.865 1.00 0.44 N ATOM 160 CA VAL A 11 1.019 -8.682 1.850 1.00 0.39 C ATOM 161 C VAL A 11 1.863 -9.895 1.485 1.00 0.41 C ATOM 162 O VAL A 11 2.104 -10.773 2.317 1.00 0.52 O ATOM 163 CB VAL A 11 1.902 -7.518 2.339 1.00 0.48 C ATOM 164 CG1 VAL A 11 2.937 -7.978 3.351 1.00 0.81 C ATOM 165 CG2 VAL A 11 2.548 -6.831 1.167 1.00 0.91 C ATOM 0 H VAL A 11 0.406 -8.905 3.818 1.00 0.44 H new ATOM 0 HA VAL A 11 0.490 -8.354 0.956 1.00 0.39 H new ATOM 0 HB VAL A 11 1.261 -6.801 2.852 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.538 -7.126 3.670 1.00 0.81 H new ATOM 0 HG12 VAL A 11 2.433 -8.410 4.216 1.00 0.81 H new ATOM 0 HG13 VAL A 11 3.583 -8.728 2.895 1.00 0.81 H new ATOM 0 HG21 VAL A 11 3.170 -6.010 1.524 1.00 0.91 H new ATOM 0 HG22 VAL A 11 3.167 -7.545 0.623 1.00 0.91 H new ATOM 0 HG23 VAL A 11 1.776 -6.440 0.504 1.00 0.91 H new ATOM 175 N LEU A 12 2.270 -9.959 0.230 1.00 0.40 N ATOM 176 CA LEU A 12 3.053 -11.079 -0.251 1.00 0.45 C ATOM 177 C LEU A 12 4.261 -10.584 -1.025 1.00 0.57 C ATOM 178 O LEU A 12 4.411 -9.380 -1.260 1.00 1.18 O ATOM 179 CB LEU A 12 2.218 -12.006 -1.143 1.00 0.50 C ATOM 180 CG LEU A 12 0.898 -12.498 -0.544 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.223 -11.509 -0.825 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.544 -13.869 -1.086 1.00 1.16 C ATOM 0 H LEU A 12 2.070 -9.248 -0.473 1.00 0.40 H new ATOM 0 HA LEU A 12 3.384 -11.646 0.619 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.000 -11.483 -2.074 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.824 -12.875 -1.400 1.00 0.50 H new ATOM 0 HG LEU A 12 1.023 -12.576 0.536 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.152 -11.879 -0.390 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.025 -10.543 -0.384 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.346 -11.395 -1.902 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.397 -14.201 -0.648 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.442 -13.816 -2.170 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.333 -14.576 -0.830 1.00 1.16 H new ATOM 194 N ASP A 13 5.115 -11.532 -1.396 1.00 0.84 N ATOM 195 CA ASP A 13 6.343 -11.279 -2.149 1.00 1.01 C ATOM 196 C ASP A 13 7.380 -10.628 -1.244 1.00 0.85 C ATOM 197 O ASP A 13 8.429 -10.178 -1.694 1.00 1.01 O ATOM 198 CB ASP A 13 6.071 -10.424 -3.392 1.00 1.29 C ATOM 199 CG ASP A 13 6.992 -10.764 -4.550 1.00 2.15 C ATOM 200 OD1 ASP A 13 6.797 -11.832 -5.173 1.00 2.73 O ATOM 201 OD2 ASP A 13 7.898 -9.967 -4.856 1.00 2.57 O ATOM 0 H ASP A 13 4.972 -12.518 -1.178 1.00 0.84 H new ATOM 0 HA ASP A 13 6.737 -12.233 -2.499 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.036 -10.562 -3.704 1.00 1.29 H new ATOM 0 HB3 ASP A 13 6.189 -9.371 -3.136 1.00 1.29 H new ATOM 206 N ASN A 14 7.064 -10.568 0.043 1.00 0.68 N ATOM 207 CA ASN A 14 8.009 -10.067 1.044 1.00 0.63 C ATOM 208 C ASN A 14 8.924 -11.173 1.550 1.00 0.57 C ATOM 209 O ASN A 14 8.463 -12.267 1.873 1.00 0.67 O ATOM 210 CB ASN A 14 7.263 -9.485 2.242 1.00 0.78 C ATOM 211 CG ASN A 14 5.854 -9.111 1.903 1.00 0.96 C ATOM 212 OD1 ASN A 14 4.937 -9.905 2.073 1.00 1.88 O ATOM 213 ND2 ASN A 14 5.678 -7.918 1.390 1.00 1.40 N ATOM 0 H ASN A 14 6.163 -10.859 0.422 1.00 0.68 H new ATOM 0 HA ASN A 14 8.606 -9.296 0.557 1.00 0.63 H new ATOM 0 HB2 ASN A 14 7.259 -10.213 3.054 1.00 0.78 H new ATOM 0 HB3 ASN A 14 7.793 -8.605 2.606 1.00 0.78 H new ATOM 0 HD21 ASN A 14 4.744 -7.615 1.112 1.00 1.40 H new ATOM 0 HD22 ASN A 14 6.475 -7.293 1.268 1.00 1.40 H new ATOM 220 N PRO A 15 10.238 -10.907 1.626 1.00 0.51 N ATOM 221 CA PRO A 15 10.870 -9.718 1.067 1.00 0.45 C ATOM 222 C PRO A 15 11.510 -10.006 -0.288 1.00 0.44 C ATOM 223 O PRO A 15 11.993 -11.115 -0.525 1.00 0.48 O ATOM 224 CB PRO A 15 11.959 -9.404 2.099 1.00 0.48 C ATOM 225 CG PRO A 15 12.154 -10.665 2.904 1.00 0.57 C ATOM 226 CD PRO A 15 11.221 -11.712 2.344 1.00 0.60 C ATOM 0 HA PRO A 15 10.163 -8.906 0.896 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.886 -9.108 1.608 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.660 -8.575 2.741 1.00 0.48 H new ATOM 0 HG2 PRO A 15 13.189 -11.002 2.843 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.939 -10.484 3.957 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.740 -12.405 1.682 1.00 0.60 H new ATOM 0 HD3 PRO A 15 10.760 -12.308 3.132 1.00 0.60 H new ATOM 234 N SER A 16 11.533 -9.016 -1.166 1.00 0.42 N ATOM 235 CA SER A 16 12.116 -9.205 -2.494 1.00 0.47 C ATOM 236 C SER A 16 12.755 -7.918 -3.003 1.00 0.45 C ATOM 237 O SER A 16 12.453 -6.837 -2.497 1.00 0.43 O ATOM 238 CB SER A 16 11.051 -9.689 -3.484 1.00 0.59 C ATOM 239 OG SER A 16 10.517 -10.942 -3.094 1.00 0.77 O ATOM 0 H SER A 16 11.161 -8.083 -0.991 1.00 0.42 H new ATOM 0 HA SER A 16 12.894 -9.964 -2.411 1.00 0.47 H new ATOM 0 HB2 SER A 16 10.249 -8.953 -3.547 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.487 -9.771 -4.479 1.00 0.59 H new ATOM 0 HG SER A 16 9.860 -10.809 -2.379 1.00 0.77 H new ATOM 245 N PRO A 17 13.662 -8.028 -3.996 1.00 0.52 N ATOM 246 CA PRO A 17 14.320 -6.871 -4.617 1.00 0.52 C ATOM 247 C PRO A 17 13.327 -5.788 -5.026 1.00 0.48 C ATOM 248 O PRO A 17 12.313 -6.079 -5.644 1.00 0.58 O ATOM 249 CB PRO A 17 14.991 -7.462 -5.853 1.00 0.60 C ATOM 250 CG PRO A 17 15.230 -8.891 -5.518 1.00 0.83 C ATOM 251 CD PRO A 17 14.122 -9.300 -4.587 1.00 0.63 C ATOM 0 HA PRO A 17 15.011 -6.383 -3.930 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.354 -7.364 -6.732 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.926 -6.948 -6.078 1.00 0.60 H new ATOM 0 HG2 PRO A 17 15.228 -9.506 -6.418 1.00 0.83 H new ATOM 0 HG3 PRO A 17 16.203 -9.021 -5.045 1.00 0.83 H new ATOM 0 HD2 PRO A 17 13.318 -9.805 -5.122 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.478 -9.990 -3.822 1.00 0.63 H new ATOM 259 N PHE A 18 13.670 -4.544 -4.705 1.00 0.41 N ATOM 260 CA PHE A 18 12.782 -3.382 -4.839 1.00 0.37 C ATOM 261 C PHE A 18 12.072 -3.275 -6.197 1.00 0.36 C ATOM 262 O PHE A 18 10.975 -2.716 -6.276 1.00 0.37 O ATOM 263 CB PHE A 18 13.589 -2.105 -4.552 1.00 0.38 C ATOM 264 CG PHE A 18 12.997 -0.845 -5.125 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.902 -0.237 -4.533 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.538 -0.276 -6.269 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.356 0.913 -5.073 1.00 0.37 C ATOM 268 CE2 PHE A 18 13.000 0.873 -6.811 1.00 0.36 C ATOM 269 CZ PHE A 18 11.906 1.469 -6.213 1.00 0.37 C ATOM 0 H PHE A 18 14.591 -4.305 -4.336 1.00 0.41 H new ATOM 0 HA PHE A 18 11.981 -3.513 -4.111 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.685 -1.987 -3.473 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.596 -2.231 -4.950 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.470 -0.666 -3.641 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.392 -0.739 -6.742 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.500 1.377 -4.604 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.433 1.306 -7.701 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.481 2.368 -6.636 1.00 0.37 H new ATOM 279 N TYR A 19 12.660 -3.812 -7.255 1.00 0.38 N ATOM 280 CA TYR A 19 12.055 -3.704 -8.579 1.00 0.41 C ATOM 281 C TYR A 19 10.947 -4.741 -8.766 1.00 0.44 C ATOM 282 O TYR A 19 10.506 -5.008 -9.886 1.00 0.52 O ATOM 283 CB TYR A 19 13.112 -3.828 -9.677 1.00 0.45 C ATOM 284 CG TYR A 19 13.950 -2.578 -9.841 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.427 -1.454 -10.470 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.252 -2.514 -9.365 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.179 -0.304 -10.621 1.00 0.56 C ATOM 288 CE2 TYR A 19 16.011 -1.367 -9.511 1.00 0.64 C ATOM 289 CZ TYR A 19 15.468 -0.265 -10.139 1.00 0.57 C ATOM 290 OH TYR A 19 16.219 0.882 -10.287 1.00 0.65 O ATOM 0 H TYR A 19 13.544 -4.321 -7.228 1.00 0.38 H new ATOM 0 HA TYR A 19 11.603 -2.715 -8.658 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.767 -4.669 -9.449 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.620 -4.054 -10.623 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.415 -1.480 -10.847 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.680 -3.374 -8.872 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.758 0.559 -11.114 1.00 0.56 H new ATOM 0 HE2 TYR A 19 17.023 -1.334 -9.136 1.00 0.64 H new ATOM 0 HH TYR A 19 17.106 0.746 -9.892 1.00 0.65 H new ATOM 300 N ASN A 20 10.505 -5.324 -7.664 1.00 0.44 N ATOM 301 CA ASN A 20 9.343 -6.192 -7.669 1.00 0.48 C ATOM 302 C ASN A 20 8.081 -5.365 -7.415 1.00 0.42 C ATOM 303 O ASN A 20 8.153 -4.263 -6.863 1.00 0.52 O ATOM 304 CB ASN A 20 9.483 -7.288 -6.602 1.00 0.61 C ATOM 305 CG ASN A 20 9.394 -6.756 -5.180 1.00 1.03 C ATOM 306 OD1 ASN A 20 9.824 -5.646 -4.885 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.825 -7.545 -4.287 1.00 0.69 N ATOM 0 H ASN A 20 10.939 -5.209 -6.748 1.00 0.44 H new ATOM 0 HA ASN A 20 9.267 -6.672 -8.645 1.00 0.48 H new ATOM 0 HB2 ASN A 20 8.703 -8.035 -6.753 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.439 -7.794 -6.734 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.733 -7.237 -3.319 1.00 0.69 H new ATOM 0 HD22 ASN A 20 8.478 -8.463 -4.565 1.00 0.69 H new ATOM 314 N PRO A 21 6.911 -5.868 -7.821 1.00 0.41 N ATOM 315 CA PRO A 21 5.646 -5.180 -7.610 1.00 0.38 C ATOM 316 C PRO A 21 5.133 -5.353 -6.184 1.00 0.35 C ATOM 317 O PRO A 21 5.536 -6.275 -5.470 1.00 0.42 O ATOM 318 CB PRO A 21 4.684 -5.853 -8.607 1.00 0.44 C ATOM 319 CG PRO A 21 5.493 -6.867 -9.351 1.00 0.62 C ATOM 320 CD PRO A 21 6.716 -7.136 -8.522 1.00 0.57 C ATOM 0 HA PRO A 21 5.742 -4.105 -7.760 1.00 0.38 H new ATOM 0 HB2 PRO A 21 3.852 -6.326 -8.086 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.256 -5.119 -9.290 1.00 0.44 H new ATOM 0 HG2 PRO A 21 4.921 -7.782 -9.504 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.768 -6.494 -10.337 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.562 -7.963 -7.829 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.576 -7.394 -9.140 1.00 0.57 H new ATOM 328 N PHE A 22 4.269 -4.447 -5.762 1.00 0.33 N ATOM 329 CA PHE A 22 3.612 -4.563 -4.474 1.00 0.34 C ATOM 330 C PHE A 22 2.453 -5.536 -4.572 1.00 0.33 C ATOM 331 O PHE A 22 1.450 -5.246 -5.214 1.00 0.41 O ATOM 332 CB PHE A 22 3.115 -3.200 -3.991 1.00 0.37 C ATOM 333 CG PHE A 22 4.183 -2.365 -3.352 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.529 -2.545 -2.023 1.00 0.43 C ATOM 335 CD2 PHE A 22 4.843 -1.394 -4.088 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.511 -1.771 -1.441 1.00 0.53 C ATOM 337 CE2 PHE A 22 5.827 -0.619 -3.509 1.00 0.57 C ATOM 338 CZ PHE A 22 6.158 -0.829 -2.153 1.00 0.58 C ATOM 0 H PHE A 22 4.006 -3.619 -6.296 1.00 0.33 H new ATOM 0 HA PHE A 22 4.336 -4.938 -3.750 1.00 0.34 H new ATOM 0 HB2 PHE A 22 2.696 -2.655 -4.837 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.306 -3.350 -3.276 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.025 -3.299 -1.437 1.00 0.43 H new ATOM 0 HD2 PHE A 22 4.585 -1.242 -5.126 1.00 0.49 H new ATOM 0 HE1 PHE A 22 5.764 -1.922 -0.402 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.337 0.138 -4.086 1.00 0.57 H new ATOM 0 HZ PHE A 22 6.930 -0.234 -1.687 1.00 0.58 H new ATOM 348 N GLN A 23 2.606 -6.690 -3.947 1.00 0.31 N ATOM 349 CA GLN A 23 1.602 -7.736 -4.022 1.00 0.34 C ATOM 350 C GLN A 23 0.784 -7.797 -2.736 1.00 0.33 C ATOM 351 O GLN A 23 1.309 -8.107 -1.665 1.00 0.38 O ATOM 352 CB GLN A 23 2.275 -9.081 -4.305 1.00 0.45 C ATOM 353 CG GLN A 23 1.337 -10.266 -4.185 1.00 0.97 C ATOM 354 CD GLN A 23 1.948 -11.567 -4.670 1.00 0.90 C ATOM 355 OE1 GLN A 23 1.247 -12.444 -5.166 1.00 1.41 O ATOM 356 NE2 GLN A 23 3.255 -11.704 -4.520 1.00 1.13 N ATOM 0 H GLN A 23 3.420 -6.927 -3.379 1.00 0.31 H new ATOM 0 HA GLN A 23 0.917 -7.508 -4.839 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.697 -9.062 -5.310 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.106 -9.215 -3.613 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.038 -10.379 -3.143 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.431 -10.063 -4.756 1.00 0.97 H new ATOM 0 HE21 GLN A 23 3.802 -10.951 -4.103 1.00 1.13 H new ATOM 0 HE22 GLN A 23 3.716 -12.563 -4.821 1.00 1.13 H new ATOM 365 N PHE A 24 -0.500 -7.482 -2.850 1.00 0.31 N ATOM 366 CA PHE A 24 -1.402 -7.505 -1.708 1.00 0.33 C ATOM 367 C PHE A 24 -2.589 -8.422 -1.965 1.00 0.36 C ATOM 368 O PHE A 24 -3.247 -8.321 -2.997 1.00 0.50 O ATOM 369 CB PHE A 24 -1.922 -6.099 -1.404 1.00 0.31 C ATOM 370 CG PHE A 24 -0.879 -5.148 -0.899 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.536 -5.117 0.443 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.232 -4.295 -1.772 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.436 -4.248 0.901 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.738 -3.425 -1.320 1.00 0.32 C ATOM 375 CZ PHE A 24 1.032 -3.375 0.056 1.00 0.30 C ATOM 0 H PHE A 24 -0.941 -7.206 -3.727 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.837 -7.881 -0.855 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.365 -5.685 -2.310 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.719 -6.172 -0.664 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -1.033 -5.778 1.138 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.489 -4.310 -2.821 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.722 -4.266 1.942 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.267 -2.789 -2.014 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.730 -2.643 0.435 1.00 0.30 H new ATOM 385 N GLU A 25 -2.870 -9.302 -1.022 1.00 0.31 N ATOM 386 CA GLU A 25 -4.041 -10.156 -1.110 1.00 0.34 C ATOM 387 C GLU A 25 -5.132 -9.562 -0.235 1.00 0.32 C ATOM 388 O GLU A 25 -5.168 -9.780 0.979 1.00 0.35 O ATOM 389 CB GLU A 25 -3.717 -11.591 -0.683 1.00 0.43 C ATOM 390 CG GLU A 25 -4.850 -12.577 -0.930 1.00 0.97 C ATOM 391 CD GLU A 25 -4.497 -13.995 -0.524 1.00 1.43 C ATOM 392 OE1 GLU A 25 -4.677 -14.341 0.665 1.00 1.72 O ATOM 393 OE2 GLU A 25 -4.034 -14.772 -1.389 1.00 1.98 O ATOM 0 H GLU A 25 -2.304 -9.445 -0.186 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.380 -10.204 -2.145 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.831 -11.929 -1.220 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.468 -11.597 0.378 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.732 -12.255 -0.377 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -5.114 -12.562 -1.987 1.00 0.97 H new ATOM 400 N ILE A 26 -5.991 -8.774 -0.854 1.00 0.30 N ATOM 401 CA ILE A 26 -6.989 -8.017 -0.127 1.00 0.30 C ATOM 402 C ILE A 26 -8.328 -8.736 -0.136 1.00 0.29 C ATOM 403 O ILE A 26 -8.918 -8.969 -1.191 1.00 0.32 O ATOM 404 CB ILE A 26 -7.160 -6.609 -0.729 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.817 -5.873 -0.749 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.194 -5.815 0.061 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.837 -4.598 -1.563 1.00 0.29 C ATOM 0 H ILE A 26 -6.016 -8.642 -1.865 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.642 -7.923 0.902 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.514 -6.709 -1.755 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.527 -5.636 0.275 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.053 -6.539 -1.151 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.303 -4.823 -0.377 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.152 -6.333 0.029 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.867 -5.721 1.096 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.853 -4.131 -1.532 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.096 -4.830 -2.596 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.577 -3.913 -1.148 1.00 0.29 H new ATOM 419 N THR A 27 -8.790 -9.098 1.046 1.00 0.31 N ATOM 420 CA THR A 27 -10.075 -9.741 1.197 1.00 0.30 C ATOM 421 C THR A 27 -11.057 -8.796 1.881 1.00 0.27 C ATOM 422 O THR A 27 -10.966 -8.552 3.089 1.00 0.29 O ATOM 423 CB THR A 27 -9.939 -11.027 2.025 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.795 -11.765 1.576 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.182 -11.891 1.898 1.00 0.34 C ATOM 0 H THR A 27 -8.286 -8.954 1.921 1.00 0.31 H new ATOM 0 HA THR A 27 -10.450 -9.996 0.206 1.00 0.30 H new ATOM 0 HB THR A 27 -9.817 -10.752 3.073 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.641 -12.525 2.175 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.059 -12.795 2.494 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.049 -11.336 2.256 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.331 -12.163 0.853 1.00 0.34 H new ATOM 433 N PHE A 28 -11.990 -8.267 1.108 1.00 0.23 N ATOM 434 CA PHE A 28 -12.973 -7.343 1.627 1.00 0.22 C ATOM 435 C PHE A 28 -14.360 -7.904 1.397 1.00 0.21 C ATOM 436 O PHE A 28 -14.659 -8.423 0.324 1.00 0.20 O ATOM 437 CB PHE A 28 -12.831 -5.973 0.956 1.00 0.21 C ATOM 438 CG PHE A 28 -13.132 -5.970 -0.518 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.209 -6.464 -1.425 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.339 -5.485 -0.995 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.483 -6.474 -2.777 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.618 -5.494 -2.347 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.685 -5.941 -3.241 1.00 0.28 C ATOM 0 H PHE A 28 -12.084 -8.466 0.112 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.811 -7.213 2.697 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.498 -5.268 1.452 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.814 -5.611 1.108 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.263 -6.846 -1.069 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -15.070 -5.096 -0.301 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.770 -6.892 -3.472 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.578 -5.146 -2.700 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.878 -5.881 -4.302 1.00 0.28 H new ATOM 453 N GLU A 29 -15.198 -7.817 2.399 1.00 0.22 N ATOM 454 CA GLU A 29 -16.535 -8.347 2.287 1.00 0.23 C ATOM 455 C GLU A 29 -17.531 -7.217 2.133 1.00 0.25 C ATOM 456 O GLU A 29 -17.659 -6.364 3.010 1.00 0.29 O ATOM 457 CB GLU A 29 -16.874 -9.192 3.508 1.00 0.26 C ATOM 458 CG GLU A 29 -18.167 -9.967 3.363 1.00 0.33 C ATOM 459 CD GLU A 29 -18.524 -10.730 4.613 1.00 0.41 C ATOM 460 OE1 GLU A 29 -17.666 -11.485 5.113 1.00 0.67 O ATOM 461 OE2 GLU A 29 -19.655 -10.568 5.115 1.00 0.77 O ATOM 0 H GLU A 29 -14.981 -7.387 3.298 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.588 -8.982 1.403 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -16.059 -9.891 3.694 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.944 -8.544 4.381 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.975 -9.277 3.118 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.078 -10.663 2.529 1.00 0.33 H new ATOM 468 N CYS A 30 -18.222 -7.206 1.014 1.00 0.24 N ATOM 469 CA CYS A 30 -19.237 -6.207 0.774 1.00 0.28 C ATOM 470 C CYS A 30 -20.469 -6.530 1.606 1.00 0.33 C ATOM 471 O CYS A 30 -21.116 -7.560 1.409 1.00 0.35 O ATOM 472 CB CYS A 30 -19.598 -6.149 -0.707 1.00 0.29 C ATOM 473 SG CYS A 30 -18.169 -6.050 -1.811 1.00 0.51 S ATOM 0 H CYS A 30 -18.099 -7.878 0.257 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.849 -5.231 1.065 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -20.181 -7.034 -0.963 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.238 -5.284 -0.880 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.401 -6.746 -2.884 1.00 0.51 H new ATOM 479 N ILE A 31 -20.760 -5.656 2.553 1.00 0.39 N ATOM 480 CA ILE A 31 -21.879 -5.837 3.457 1.00 0.45 C ATOM 481 C ILE A 31 -23.176 -5.527 2.723 1.00 0.48 C ATOM 482 O ILE A 31 -24.252 -6.013 3.078 1.00 0.53 O ATOM 483 CB ILE A 31 -21.728 -4.921 4.690 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.348 -5.123 5.320 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.822 -5.196 5.710 1.00 0.57 C ATOM 486 CD1 ILE A 31 -20.071 -4.206 6.492 1.00 0.52 C ATOM 0 H ILE A 31 -20.227 -4.802 2.716 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.899 -6.871 3.801 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.825 -3.885 4.366 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.258 -6.158 5.651 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.585 -4.965 4.558 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.693 -4.537 6.569 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.796 -5.014 5.257 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.762 -6.234 6.037 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -19.075 -4.409 6.885 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.127 -3.168 6.163 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.811 -4.380 7.273 1.00 0.52 H new ATOM 498 N GLU A 32 -23.042 -4.727 1.678 1.00 0.49 N ATOM 499 CA GLU A 32 -24.153 -4.358 0.821 1.00 0.53 C ATOM 500 C GLU A 32 -23.672 -4.286 -0.617 1.00 0.52 C ATOM 501 O GLU A 32 -22.469 -4.273 -0.871 1.00 0.51 O ATOM 502 CB GLU A 32 -24.727 -3.003 1.233 1.00 0.60 C ATOM 503 CG GLU A 32 -25.424 -3.009 2.580 1.00 0.84 C ATOM 504 CD GLU A 32 -25.717 -1.612 3.081 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.460 -0.879 2.400 1.00 1.53 O ATOM 506 OE2 GLU A 32 -25.227 -1.246 4.169 1.00 1.83 O ATOM 0 H GLU A 32 -22.152 -4.313 1.400 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.936 -5.111 0.917 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.920 -2.271 1.257 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.434 -2.673 0.472 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -26.357 -3.567 2.501 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.801 -3.530 3.307 1.00 0.84 H new ATOM 513 N ASP A 33 -24.606 -4.243 -1.547 1.00 0.62 N ATOM 514 CA ASP A 33 -24.269 -4.115 -2.955 1.00 0.65 C ATOM 515 C ASP A 33 -24.038 -2.654 -3.296 1.00 0.65 C ATOM 516 O ASP A 33 -24.930 -1.824 -3.114 1.00 0.79 O ATOM 517 CB ASP A 33 -25.385 -4.678 -3.838 1.00 0.76 C ATOM 518 CG ASP A 33 -25.578 -6.170 -3.664 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.897 -6.945 -4.370 1.00 2.01 O ATOM 520 OD2 ASP A 33 -26.409 -6.577 -2.823 1.00 2.18 O ATOM 0 H ASP A 33 -25.606 -4.295 -1.355 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.359 -4.685 -3.143 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -26.319 -4.166 -3.605 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.157 -4.466 -4.883 1.00 0.76 H new ATOM 525 N LEU A 34 -22.850 -2.332 -3.781 1.00 0.57 N ATOM 526 CA LEU A 34 -22.537 -0.958 -4.125 1.00 0.57 C ATOM 527 C LEU A 34 -22.683 -0.765 -5.625 1.00 0.64 C ATOM 528 O LEU A 34 -22.261 -1.614 -6.408 1.00 0.71 O ATOM 529 CB LEU A 34 -21.140 -0.576 -3.622 1.00 0.55 C ATOM 530 CG LEU A 34 -19.956 -1.242 -4.288 1.00 0.81 C ATOM 531 CD1 LEU A 34 -19.261 -0.277 -5.230 1.00 1.52 C ATOM 532 CD2 LEU A 34 -19.010 -1.731 -3.209 1.00 1.41 C ATOM 0 H LEU A 34 -22.094 -2.997 -3.944 1.00 0.57 H new ATOM 0 HA LEU A 34 -23.240 -0.288 -3.630 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -21.026 0.502 -3.731 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -21.094 -0.795 -2.555 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.293 -2.089 -4.885 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -18.412 -0.774 -5.699 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -19.961 0.049 -5.999 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -18.909 0.589 -4.669 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -18.149 -2.215 -3.671 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -18.673 -0.885 -2.610 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -19.527 -2.446 -2.568 1.00 1.41 H new ATOM 544 N SER A 35 -23.314 0.330 -6.020 1.00 0.75 N ATOM 545 CA SER A 35 -23.655 0.548 -7.419 1.00 0.89 C ATOM 546 C SER A 35 -22.666 1.490 -8.096 1.00 0.75 C ATOM 547 O SER A 35 -22.701 1.673 -9.313 1.00 0.92 O ATOM 548 CB SER A 35 -25.076 1.102 -7.521 1.00 1.14 C ATOM 549 OG SER A 35 -25.995 0.253 -6.853 1.00 1.55 O ATOM 0 H SER A 35 -23.601 1.082 -5.393 1.00 0.75 H new ATOM 0 HA SER A 35 -23.601 -0.409 -7.937 1.00 0.89 H new ATOM 0 HB2 SER A 35 -25.114 2.101 -7.086 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.359 1.199 -8.569 1.00 1.14 H new ATOM 0 HG SER A 35 -26.898 0.625 -6.928 1.00 1.55 H new ATOM 555 N GLU A 36 -21.792 2.090 -7.306 1.00 0.61 N ATOM 556 CA GLU A 36 -20.759 2.959 -7.845 1.00 0.51 C ATOM 557 C GLU A 36 -19.475 2.160 -8.052 1.00 0.44 C ATOM 558 O GLU A 36 -19.491 0.930 -7.993 1.00 0.53 O ATOM 559 CB GLU A 36 -20.505 4.152 -6.911 1.00 0.63 C ATOM 560 CG GLU A 36 -21.618 5.195 -6.896 1.00 1.48 C ATOM 561 CD GLU A 36 -22.937 4.675 -6.352 1.00 2.16 C ATOM 562 OE1 GLU A 36 -22.968 4.218 -5.190 1.00 2.95 O ATOM 563 OE2 GLU A 36 -23.948 4.719 -7.080 1.00 2.46 O ATOM 0 H GLU A 36 -21.777 1.992 -6.291 1.00 0.61 H new ATOM 0 HA GLU A 36 -21.096 3.351 -8.805 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.361 3.779 -5.897 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.575 4.637 -7.207 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -21.298 6.046 -6.295 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -21.773 5.562 -7.911 1.00 1.48 H new ATOM 570 N ASP A 37 -18.377 2.845 -8.321 1.00 0.37 N ATOM 571 CA ASP A 37 -17.090 2.179 -8.475 1.00 0.36 C ATOM 572 C ASP A 37 -16.258 2.328 -7.207 1.00 0.35 C ATOM 573 O ASP A 37 -16.128 3.424 -6.660 1.00 0.50 O ATOM 574 CB ASP A 37 -16.334 2.723 -9.698 1.00 0.49 C ATOM 575 CG ASP A 37 -15.989 4.197 -9.594 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.919 5.034 -9.561 1.00 1.30 O ATOM 577 OD2 ASP A 37 -14.788 4.531 -9.566 1.00 1.88 O ATOM 0 H ASP A 37 -18.348 3.858 -8.437 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.271 1.117 -8.641 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.415 2.152 -9.830 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -16.940 2.562 -10.590 1.00 0.49 H new ATOM 582 N LEU A 38 -15.722 1.213 -6.727 1.00 0.30 N ATOM 583 CA LEU A 38 -14.880 1.216 -5.537 1.00 0.31 C ATOM 584 C LEU A 38 -13.433 1.469 -5.949 1.00 0.28 C ATOM 585 O LEU A 38 -12.901 0.762 -6.809 1.00 0.29 O ATOM 586 CB LEU A 38 -14.993 -0.135 -4.806 1.00 0.39 C ATOM 587 CG LEU A 38 -14.831 -0.110 -3.276 1.00 0.42 C ATOM 588 CD1 LEU A 38 -13.504 0.503 -2.859 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.981 0.639 -2.631 1.00 1.32 C ATOM 0 H LEU A 38 -15.856 0.292 -7.145 1.00 0.30 H new ATOM 0 HA LEU A 38 -15.209 2.005 -4.861 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.967 -0.567 -5.038 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.240 -0.808 -5.217 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.842 -1.144 -2.930 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -13.428 0.502 -1.772 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.685 -0.081 -3.280 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -13.445 1.528 -3.226 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.849 0.646 -1.549 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -16.001 1.664 -3.001 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.921 0.146 -2.879 1.00 1.32 H new ATOM 601 N GLU A 39 -12.809 2.472 -5.347 1.00 0.30 N ATOM 602 CA GLU A 39 -11.436 2.819 -5.679 1.00 0.32 C ATOM 603 C GLU A 39 -10.459 2.196 -4.694 1.00 0.31 C ATOM 604 O GLU A 39 -10.550 2.419 -3.487 1.00 0.43 O ATOM 605 CB GLU A 39 -11.253 4.338 -5.688 1.00 0.42 C ATOM 606 CG GLU A 39 -9.854 4.774 -6.094 1.00 0.50 C ATOM 607 CD GLU A 39 -9.703 6.279 -6.184 1.00 0.68 C ATOM 608 OE1 GLU A 39 -10.109 6.858 -7.210 1.00 0.92 O ATOM 609 OE2 GLU A 39 -9.191 6.888 -5.222 1.00 0.73 O ATOM 0 H GLU A 39 -13.232 3.058 -4.627 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.228 2.425 -6.674 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.977 4.780 -6.373 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.474 4.729 -4.695 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -9.135 4.385 -5.373 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.608 4.332 -7.059 1.00 0.50 H new ATOM 616 N TRP A 40 -9.539 1.405 -5.219 1.00 0.24 N ATOM 617 CA TRP A 40 -8.464 0.842 -4.424 1.00 0.23 C ATOM 618 C TRP A 40 -7.151 1.463 -4.870 1.00 0.24 C ATOM 619 O TRP A 40 -6.677 1.201 -5.974 1.00 0.28 O ATOM 620 CB TRP A 40 -8.420 -0.679 -4.584 1.00 0.24 C ATOM 621 CG TRP A 40 -9.676 -1.353 -4.139 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.810 -1.547 -4.875 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.927 -1.920 -2.852 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.756 -2.193 -4.118 1.00 0.27 N ATOM 625 CE2 TRP A 40 -11.236 -2.434 -2.874 1.00 0.25 C ATOM 626 CE3 TRP A 40 -9.173 -2.046 -1.685 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.805 -3.058 -1.772 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.742 -2.666 -0.590 1.00 0.43 C ATOM 629 CH2 TRP A 40 -11.046 -3.166 -0.641 1.00 0.40 C ATOM 0 H TRP A 40 -9.517 1.137 -6.203 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.633 1.062 -3.370 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.235 -0.923 -5.630 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.581 -1.074 -4.012 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.943 -1.238 -5.901 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.692 -2.451 -4.431 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -8.163 -1.666 -1.639 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.813 -3.445 -1.808 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -9.170 -2.766 0.321 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.462 -3.648 0.231 1.00 0.40 H new ATOM 640 N LYS A 41 -6.575 2.289 -4.019 1.00 0.25 N ATOM 641 CA LYS A 41 -5.431 3.096 -4.403 1.00 0.25 C ATOM 642 C LYS A 41 -4.243 2.845 -3.478 1.00 0.23 C ATOM 643 O LYS A 41 -4.405 2.761 -2.261 1.00 0.27 O ATOM 644 CB LYS A 41 -5.832 4.567 -4.343 1.00 0.37 C ATOM 645 CG LYS A 41 -4.800 5.525 -4.904 1.00 0.63 C ATOM 646 CD LYS A 41 -4.892 6.868 -4.209 1.00 0.65 C ATOM 647 CE LYS A 41 -6.247 7.501 -4.464 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.583 8.544 -3.458 1.00 1.23 N ATOM 0 H LYS A 41 -6.880 2.420 -3.055 1.00 0.25 H new ATOM 0 HA LYS A 41 -5.128 2.825 -5.414 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.766 4.698 -4.890 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -6.030 4.834 -3.305 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -3.801 5.109 -4.775 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -4.956 5.651 -5.975 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -4.738 6.742 -3.137 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.102 7.527 -4.569 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -6.257 7.944 -5.460 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -7.015 6.727 -4.452 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.459 9.029 -3.740 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.717 8.099 -2.528 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.808 9.235 -3.402 1.00 1.23 H new ATOM 662 N ILE A 42 -3.052 2.725 -4.053 1.00 0.22 N ATOM 663 CA ILE A 42 -1.844 2.591 -3.254 1.00 0.24 C ATOM 664 C ILE A 42 -1.043 3.885 -3.261 1.00 0.25 C ATOM 665 O ILE A 42 -0.562 4.334 -4.304 1.00 0.31 O ATOM 666 CB ILE A 42 -0.936 1.435 -3.727 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.640 0.087 -3.538 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.397 1.463 -2.978 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.700 -1.100 -3.565 1.00 0.46 C ATOM 0 H ILE A 42 -2.899 2.718 -5.061 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.178 2.363 -2.242 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.733 1.565 -4.790 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.173 0.096 -2.587 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.388 -0.035 -4.321 1.00 0.33 H new ATOM 0 HG21 ILE A 42 1.025 0.642 -3.323 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.901 2.410 -3.168 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.216 1.357 -1.908 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.270 -2.019 -3.425 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.185 -1.135 -4.525 1.00 0.46 H new ATOM 0 HD13 ILE A 42 0.033 -1.002 -2.764 1.00 0.46 H new ATOM 681 N ILE A 43 -0.916 4.473 -2.086 1.00 0.24 N ATOM 682 CA ILE A 43 -0.099 5.656 -1.891 1.00 0.27 C ATOM 683 C ILE A 43 1.156 5.267 -1.123 1.00 0.26 C ATOM 684 O ILE A 43 1.095 4.978 0.073 1.00 0.30 O ATOM 685 CB ILE A 43 -0.857 6.748 -1.102 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.188 7.072 -1.785 1.00 0.37 C ATOM 687 CG2 ILE A 43 -0.003 8.003 -0.973 1.00 0.39 C ATOM 688 CD1 ILE A 43 -3.070 8.016 -0.993 1.00 0.69 C ATOM 0 H ILE A 43 -1.377 4.143 -1.238 1.00 0.24 H new ATOM 0 HA ILE A 43 0.155 6.061 -2.870 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.065 6.370 -0.101 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.986 7.512 -2.762 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.731 6.143 -1.960 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.552 8.761 -0.415 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.920 7.762 -0.446 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.235 8.385 -1.966 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.994 8.197 -1.542 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.304 7.570 -0.026 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.547 8.960 -0.841 1.00 0.69 H new ATOM 700 N TYR A 44 2.286 5.223 -1.805 1.00 0.29 N ATOM 701 CA TYR A 44 3.523 4.823 -1.161 1.00 0.29 C ATOM 702 C TYR A 44 4.286 6.047 -0.689 1.00 0.28 C ATOM 703 O TYR A 44 4.487 6.993 -1.449 1.00 0.33 O ATOM 704 CB TYR A 44 4.385 3.986 -2.111 1.00 0.32 C ATOM 705 CG TYR A 44 5.580 3.339 -1.441 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.441 2.205 -0.646 1.00 0.42 C ATOM 707 CD2 TYR A 44 6.849 3.875 -1.595 1.00 0.38 C ATOM 708 CE1 TYR A 44 6.537 1.629 -0.029 1.00 0.50 C ATOM 709 CE2 TYR A 44 7.946 3.308 -0.978 1.00 0.45 C ATOM 710 CZ TYR A 44 7.761 2.113 -0.225 1.00 0.49 C ATOM 711 OH TYR A 44 8.880 1.631 0.422 1.00 0.59 O ATOM 0 H TYR A 44 2.373 5.457 -2.794 1.00 0.29 H new ATOM 0 HA TYR A 44 3.278 4.207 -0.296 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.766 3.209 -2.559 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.736 4.622 -2.924 1.00 0.32 H new ATOM 0 HD1 TYR A 44 4.463 1.768 -0.509 1.00 0.42 H new ATOM 0 HD2 TYR A 44 6.982 4.753 -2.210 1.00 0.38 H new ATOM 0 HE1 TYR A 44 6.398 0.777 0.619 1.00 0.50 H new ATOM 0 HE2 TYR A 44 8.923 3.760 -1.064 1.00 0.45 H new ATOM 0 HH TYR A 44 9.682 1.875 -0.086 1.00 0.59 H new ATOM 721 N VAL A 45 4.682 6.032 0.574 1.00 0.27 N ATOM 722 CA VAL A 45 5.484 7.105 1.134 1.00 0.28 C ATOM 723 C VAL A 45 6.842 7.146 0.453 1.00 0.30 C ATOM 724 O VAL A 45 7.675 6.271 0.675 1.00 0.36 O ATOM 725 CB VAL A 45 5.699 6.931 2.653 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.545 8.060 3.212 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.375 6.852 3.388 1.00 0.34 C ATOM 0 H VAL A 45 4.459 5.285 1.232 1.00 0.27 H new ATOM 0 HA VAL A 45 4.942 8.035 0.965 1.00 0.28 H new ATOM 0 HB VAL A 45 6.230 5.992 2.806 1.00 0.32 H new ATOM 0 HG11 VAL A 45 6.683 7.915 4.284 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.517 8.065 2.719 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.044 9.012 3.036 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.558 6.730 4.455 1.00 0.34 H new ATOM 0 HG22 VAL A 45 3.810 7.769 3.220 1.00 0.34 H new ATOM 0 HG23 VAL A 45 3.804 6.001 3.018 1.00 0.34 H new ATOM 737 N GLY A 46 7.044 8.137 -0.396 1.00 0.32 N ATOM 738 CA GLY A 46 8.327 8.300 -1.038 1.00 0.39 C ATOM 739 C GLY A 46 9.404 8.662 -0.044 1.00 0.41 C ATOM 740 O GLY A 46 10.451 8.019 0.011 1.00 0.47 O ATOM 0 H GLY A 46 6.343 8.832 -0.652 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.599 7.376 -1.549 1.00 0.39 H new ATOM 0 HA3 GLY A 46 8.257 9.077 -1.799 1.00 0.39 H new ATOM 744 N SER A 47 9.138 9.682 0.759 1.00 0.43 N ATOM 745 CA SER A 47 10.086 10.123 1.751 1.00 0.48 C ATOM 746 C SER A 47 9.475 10.094 3.144 1.00 0.51 C ATOM 747 O SER A 47 8.351 10.541 3.346 1.00 0.49 O ATOM 748 CB SER A 47 10.546 11.538 1.420 1.00 0.53 C ATOM 749 OG SER A 47 11.450 12.023 2.393 1.00 1.23 O ATOM 0 H SER A 47 8.269 10.216 0.737 1.00 0.43 H new ATOM 0 HA SER A 47 10.939 9.444 1.740 1.00 0.48 H new ATOM 0 HB2 SER A 47 11.023 11.548 0.440 1.00 0.53 H new ATOM 0 HB3 SER A 47 9.682 12.200 1.361 1.00 0.53 H new ATOM 0 HG SER A 47 11.900 11.268 2.826 1.00 1.23 H new ATOM 755 N ALA A 48 10.222 9.560 4.094 1.00 0.62 N ATOM 756 CA ALA A 48 9.836 9.627 5.492 1.00 0.70 C ATOM 757 C ALA A 48 10.322 10.949 6.062 1.00 0.75 C ATOM 758 O ALA A 48 9.872 11.398 7.117 1.00 0.82 O ATOM 759 CB ALA A 48 10.414 8.452 6.264 1.00 0.81 C ATOM 0 H ALA A 48 11.102 9.074 3.922 1.00 0.62 H new ATOM 0 HA ALA A 48 8.751 9.570 5.582 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.113 8.520 7.310 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.042 7.519 5.840 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.502 8.472 6.197 1.00 0.81 H new ATOM 765 N GLU A 49 11.268 11.548 5.344 1.00 0.75 N ATOM 766 CA GLU A 49 11.726 12.895 5.614 1.00 0.83 C ATOM 767 C GLU A 49 10.590 13.875 5.324 1.00 0.82 C ATOM 768 O GLU A 49 10.322 14.790 6.105 1.00 0.93 O ATOM 769 CB GLU A 49 12.934 13.195 4.724 1.00 0.90 C ATOM 770 CG GLU A 49 14.158 13.699 5.466 1.00 1.06 C ATOM 771 CD GLU A 49 13.936 15.033 6.138 1.00 1.48 C ATOM 772 OE1 GLU A 49 13.572 16.001 5.441 1.00 1.96 O ATOM 773 OE2 GLU A 49 14.143 15.123 7.364 1.00 1.99 O ATOM 0 H GLU A 49 11.737 11.104 4.555 1.00 0.75 H new ATOM 0 HA GLU A 49 12.021 12.996 6.659 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.202 12.289 4.181 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.645 13.938 3.981 1.00 0.90 H new ATOM 0 HG2 GLU A 49 14.448 12.964 6.217 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.990 13.785 4.767 1.00 1.06 H new ATOM 780 N SER A 50 9.930 13.672 4.189 1.00 0.74 N ATOM 781 CA SER A 50 8.743 14.429 3.843 1.00 0.79 C ATOM 782 C SER A 50 7.841 13.589 2.960 1.00 0.75 C ATOM 783 O SER A 50 8.155 13.330 1.799 1.00 1.26 O ATOM 784 CB SER A 50 9.122 15.726 3.140 1.00 0.96 C ATOM 785 OG SER A 50 7.973 16.447 2.738 1.00 1.72 O ATOM 0 H SER A 50 10.204 12.982 3.490 1.00 0.74 H new ATOM 0 HA SER A 50 8.207 14.684 4.757 1.00 0.79 H new ATOM 0 HB2 SER A 50 9.725 16.341 3.808 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.738 15.503 2.269 1.00 0.96 H new ATOM 0 HG SER A 50 8.246 17.275 2.291 1.00 1.72 H new ATOM 791 N GLU A 51 6.712 13.165 3.501 1.00 0.78 N ATOM 792 CA GLU A 51 5.859 12.224 2.796 1.00 0.71 C ATOM 793 C GLU A 51 5.084 12.913 1.675 1.00 0.74 C ATOM 794 O GLU A 51 4.244 12.294 1.025 1.00 0.80 O ATOM 795 CB GLU A 51 4.885 11.538 3.756 1.00 0.85 C ATOM 796 CG GLU A 51 5.445 11.338 5.151 1.00 1.46 C ATOM 797 CD GLU A 51 5.105 12.489 6.071 1.00 1.68 C ATOM 798 OE1 GLU A 51 4.001 12.482 6.648 1.00 2.09 O ATOM 799 OE2 GLU A 51 5.948 13.399 6.225 1.00 2.02 O ATOM 0 H GLU A 51 6.367 13.454 4.417 1.00 0.78 H new ATOM 0 HA GLU A 51 6.507 11.467 2.355 1.00 0.71 H new ATOM 0 HB2 GLU A 51 3.974 12.132 3.821 1.00 0.85 H new ATOM 0 HB3 GLU A 51 4.604 10.569 3.344 1.00 0.85 H new ATOM 0 HG2 GLU A 51 5.052 10.412 5.570 1.00 1.46 H new ATOM 0 HG3 GLU A 51 6.528 11.228 5.094 1.00 1.46 H new ATOM 806 N GLU A 52 5.370 14.195 1.457 1.00 0.78 N ATOM 807 CA GLU A 52 4.820 14.928 0.320 1.00 0.89 C ATOM 808 C GLU A 52 5.370 14.346 -0.973 1.00 0.78 C ATOM 809 O GLU A 52 4.831 14.561 -2.056 1.00 0.85 O ATOM 810 CB GLU A 52 5.194 16.409 0.400 1.00 1.09 C ATOM 811 CG GLU A 52 4.757 17.094 1.672 1.00 1.70 C ATOM 812 CD GLU A 52 5.162 18.553 1.710 1.00 2.16 C ATOM 813 OE1 GLU A 52 6.360 18.843 1.908 1.00 2.83 O ATOM 814 OE2 GLU A 52 4.283 19.422 1.551 1.00 2.43 O ATOM 0 H GLU A 52 5.982 14.749 2.056 1.00 0.78 H new ATOM 0 HA GLU A 52 3.734 14.836 0.341 1.00 0.89 H new ATOM 0 HB2 GLU A 52 6.276 16.504 0.304 1.00 1.09 H new ATOM 0 HB3 GLU A 52 4.751 16.930 -0.449 1.00 1.09 H new ATOM 0 HG2 GLU A 52 3.674 17.018 1.769 1.00 1.70 H new ATOM 0 HG3 GLU A 52 5.191 16.577 2.528 1.00 1.70 H new ATOM 821 N TYR A 53 6.455 13.599 -0.829 1.00 0.65 N ATOM 822 CA TYR A 53 7.147 12.990 -1.950 1.00 0.61 C ATOM 823 C TYR A 53 6.599 11.588 -2.210 1.00 0.52 C ATOM 824 O TYR A 53 7.308 10.710 -2.696 1.00 0.52 O ATOM 825 CB TYR A 53 8.646 12.939 -1.631 1.00 0.62 C ATOM 826 CG TYR A 53 9.215 14.283 -1.225 1.00 0.82 C ATOM 827 CD1 TYR A 53 8.733 15.462 -1.780 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.217 14.372 -0.269 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.236 16.688 -1.396 1.00 1.44 C ATOM 830 CE2 TYR A 53 10.723 15.593 0.123 1.00 1.01 C ATOM 831 CZ TYR A 53 10.231 16.749 -0.443 1.00 1.25 C ATOM 832 OH TYR A 53 10.729 17.971 -0.054 1.00 1.48 O ATOM 0 H TYR A 53 6.881 13.399 0.076 1.00 0.65 H new ATOM 0 HA TYR A 53 6.989 13.582 -2.852 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.816 12.222 -0.828 1.00 0.62 H new ATOM 0 HB3 TYR A 53 9.185 12.572 -2.505 1.00 0.62 H new ATOM 0 HD1 TYR A 53 7.952 15.418 -2.524 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.607 13.469 0.176 1.00 0.83 H new ATOM 0 HE1 TYR A 53 8.853 17.595 -1.839 1.00 1.44 H new ATOM 0 HE2 TYR A 53 11.501 15.643 0.870 1.00 1.01 H new ATOM 0 HH TYR A 53 11.423 17.840 0.625 1.00 1.48 H new ATOM 842 N ASP A 54 5.325 11.399 -1.887 1.00 0.52 N ATOM 843 CA ASP A 54 4.663 10.109 -2.052 1.00 0.52 C ATOM 844 C ASP A 54 4.429 9.791 -3.524 1.00 0.57 C ATOM 845 O ASP A 54 4.350 10.695 -4.362 1.00 0.68 O ATOM 846 CB ASP A 54 3.320 10.098 -1.313 1.00 0.65 C ATOM 847 CG ASP A 54 2.298 11.035 -1.935 1.00 0.88 C ATOM 848 OD1 ASP A 54 1.546 10.591 -2.831 1.00 1.22 O ATOM 849 OD2 ASP A 54 2.238 12.218 -1.537 1.00 1.22 O ATOM 0 H ASP A 54 4.724 12.130 -1.506 1.00 0.52 H new ATOM 0 HA ASP A 54 5.319 9.348 -1.630 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.921 9.084 -1.309 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.480 10.382 -0.273 1.00 0.65 H new ATOM 854 N GLN A 55 4.335 8.505 -3.830 1.00 0.54 N ATOM 855 CA GLN A 55 3.991 8.060 -5.168 1.00 0.60 C ATOM 856 C GLN A 55 2.686 7.268 -5.142 1.00 0.46 C ATOM 857 O GLN A 55 2.630 6.169 -4.582 1.00 0.57 O ATOM 858 CB GLN A 55 5.086 7.166 -5.771 1.00 0.78 C ATOM 859 CG GLN A 55 6.500 7.718 -5.679 1.00 0.87 C ATOM 860 CD GLN A 55 7.264 7.161 -4.492 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.692 6.867 -3.448 1.00 1.85 O ATOM 862 NE2 GLN A 55 8.562 6.965 -4.666 1.00 0.81 N ATOM 0 H GLN A 55 4.494 7.749 -3.164 1.00 0.54 H new ATOM 0 HA GLN A 55 3.884 8.954 -5.783 1.00 0.60 H new ATOM 0 HB2 GLN A 55 5.058 6.198 -5.270 1.00 0.78 H new ATOM 0 HB3 GLN A 55 4.850 6.989 -6.820 1.00 0.78 H new ATOM 0 HG2 GLN A 55 7.039 7.483 -6.597 1.00 0.87 H new ATOM 0 HG3 GLN A 55 6.458 8.805 -5.603 1.00 0.87 H new ATOM 0 HE21 GLN A 55 9.003 7.222 -5.549 1.00 0.81 H new ATOM 0 HE22 GLN A 55 9.121 6.557 -3.917 1.00 0.81 H new ATOM 871 N VAL A 56 1.631 7.828 -5.718 1.00 0.41 N ATOM 872 CA VAL A 56 0.422 7.065 -5.969 1.00 0.37 C ATOM 873 C VAL A 56 0.686 6.096 -7.117 1.00 0.36 C ATOM 874 O VAL A 56 0.660 6.478 -8.286 1.00 0.44 O ATOM 875 CB VAL A 56 -0.779 7.975 -6.307 1.00 0.50 C ATOM 876 CG1 VAL A 56 -2.017 7.146 -6.622 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.056 8.937 -5.161 1.00 1.08 C ATOM 0 H VAL A 56 1.590 8.802 -6.018 1.00 0.41 H new ATOM 0 HA VAL A 56 0.163 6.520 -5.061 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.527 8.556 -7.194 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.849 7.810 -6.857 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.815 6.501 -7.477 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.274 6.533 -5.758 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -1.905 9.571 -5.415 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.283 8.371 -4.258 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.178 9.559 -4.988 1.00 1.08 H new ATOM 887 N LEU A 57 0.980 4.856 -6.765 1.00 0.34 N ATOM 888 CA LEU A 57 1.426 3.862 -7.734 1.00 0.39 C ATOM 889 C LEU A 57 0.293 3.409 -8.640 1.00 0.36 C ATOM 890 O LEU A 57 0.301 3.669 -9.845 1.00 0.48 O ATOM 891 CB LEU A 57 2.011 2.658 -6.996 1.00 0.44 C ATOM 892 CG LEU A 57 3.304 2.937 -6.238 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.680 1.749 -5.369 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.419 3.252 -7.218 1.00 0.77 C ATOM 0 H LEU A 57 0.918 4.509 -5.808 1.00 0.34 H new ATOM 0 HA LEU A 57 2.188 4.323 -8.362 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.267 2.285 -6.292 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.194 1.862 -7.717 1.00 0.44 H new ATOM 0 HG LEU A 57 3.151 3.799 -5.588 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.605 1.967 -4.836 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.883 1.557 -4.650 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.821 0.869 -5.997 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.340 3.450 -6.670 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.569 2.402 -7.884 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.150 4.130 -7.805 1.00 0.77 H new ATOM 906 N ASP A 58 -0.683 2.742 -8.054 1.00 0.31 N ATOM 907 CA ASP A 58 -1.794 2.191 -8.810 1.00 0.35 C ATOM 908 C ASP A 58 -3.102 2.467 -8.095 1.00 0.33 C ATOM 909 O ASP A 58 -3.141 2.563 -6.866 1.00 0.33 O ATOM 910 CB ASP A 58 -1.623 0.680 -9.018 1.00 0.43 C ATOM 911 CG ASP A 58 -0.625 0.329 -10.108 1.00 0.71 C ATOM 912 OD1 ASP A 58 0.596 0.451 -9.863 1.00 1.31 O ATOM 913 OD2 ASP A 58 -1.050 -0.061 -11.217 1.00 0.92 O ATOM 0 H ASP A 58 -0.730 2.567 -7.050 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.809 2.674 -9.787 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -1.300 0.226 -8.081 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -2.590 0.244 -9.267 1.00 0.43 H new ATOM 918 N SER A 59 -4.161 2.605 -8.869 1.00 0.42 N ATOM 919 CA SER A 59 -5.488 2.821 -8.337 1.00 0.43 C ATOM 920 C SER A 59 -6.493 2.123 -9.236 1.00 0.46 C ATOM 921 O SER A 59 -6.681 2.503 -10.395 1.00 0.58 O ATOM 922 CB SER A 59 -5.793 4.314 -8.224 1.00 0.52 C ATOM 923 OG SER A 59 -7.129 4.540 -7.808 1.00 1.09 O ATOM 0 H SER A 59 -4.123 2.570 -9.888 1.00 0.42 H new ATOM 0 HA SER A 59 -5.552 2.404 -7.332 1.00 0.43 H new ATOM 0 HB2 SER A 59 -5.107 4.774 -7.513 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.624 4.795 -9.187 1.00 0.52 H new ATOM 0 HG SER A 59 -7.293 5.504 -7.744 1.00 1.09 H new ATOM 929 N VAL A 60 -7.100 1.074 -8.717 1.00 0.39 N ATOM 930 CA VAL A 60 -8.008 0.264 -9.508 1.00 0.45 C ATOM 931 C VAL A 60 -9.455 0.521 -9.107 1.00 0.38 C ATOM 932 O VAL A 60 -9.766 0.713 -7.930 1.00 0.39 O ATOM 933 CB VAL A 60 -7.683 -1.242 -9.399 1.00 0.54 C ATOM 934 CG1 VAL A 60 -6.259 -1.516 -9.850 1.00 1.22 C ATOM 935 CG2 VAL A 60 -7.903 -1.757 -7.986 1.00 1.11 C ATOM 0 H VAL A 60 -6.982 0.762 -7.753 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.873 0.558 -10.549 1.00 0.45 H new ATOM 0 HB VAL A 60 -8.366 -1.777 -10.059 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -6.049 -2.582 -9.766 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -6.139 -1.204 -10.887 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -5.565 -0.959 -9.221 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -7.665 -2.820 -7.945 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -7.257 -1.214 -7.296 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -8.945 -1.607 -7.702 1.00 1.11 H new ATOM 945 N LEU A 61 -10.329 0.544 -10.098 1.00 0.40 N ATOM 946 CA LEU A 61 -11.733 0.856 -9.879 1.00 0.39 C ATOM 947 C LEU A 61 -12.600 -0.352 -10.200 1.00 0.38 C ATOM 948 O LEU A 61 -12.626 -0.807 -11.346 1.00 0.57 O ATOM 949 CB LEU A 61 -12.171 2.038 -10.765 1.00 0.51 C ATOM 950 CG LEU A 61 -11.539 3.406 -10.463 1.00 0.62 C ATOM 951 CD1 LEU A 61 -11.691 3.752 -8.997 1.00 1.31 C ATOM 952 CD2 LEU A 61 -10.075 3.457 -10.880 1.00 1.34 C ATOM 0 H LEU A 61 -10.090 0.349 -11.070 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.857 1.126 -8.830 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.951 1.784 -11.802 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.253 2.139 -10.685 1.00 0.51 H new ATOM 0 HG LEU A 61 -12.072 4.151 -11.054 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -11.237 4.724 -8.804 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -12.750 3.788 -8.740 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -11.196 2.993 -8.391 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.665 4.440 -10.650 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.516 2.695 -10.338 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -9.995 3.272 -11.951 1.00 1.34 H new ATOM 964 N VAL A 62 -13.300 -0.890 -9.207 1.00 0.27 N ATOM 965 CA VAL A 62 -14.237 -1.974 -9.480 1.00 0.27 C ATOM 966 C VAL A 62 -15.669 -1.439 -9.451 1.00 0.26 C ATOM 967 O VAL A 62 -16.232 -1.175 -8.392 1.00 0.30 O ATOM 968 CB VAL A 62 -14.087 -3.124 -8.454 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.013 -4.282 -8.798 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.639 -3.599 -8.378 1.00 0.59 C ATOM 0 H VAL A 62 -13.240 -0.603 -8.230 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.012 -2.373 -10.469 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.372 -2.739 -7.475 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.889 -5.077 -8.063 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.047 -3.936 -8.788 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.767 -4.663 -9.789 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.559 -4.407 -7.651 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.322 -3.959 -9.357 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.000 -2.771 -8.072 1.00 0.59 H new ATOM 980 N GLY A 63 -16.211 -1.226 -10.638 1.00 0.28 N ATOM 981 CA GLY A 63 -17.579 -0.779 -10.800 1.00 0.33 C ATOM 982 C GLY A 63 -18.499 -1.885 -11.321 1.00 0.36 C ATOM 983 O GLY A 63 -18.215 -2.433 -12.386 1.00 0.42 O ATOM 0 H GLY A 63 -15.711 -1.359 -11.517 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.956 -0.418 -9.843 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.603 0.064 -11.490 1.00 0.33 H new ATOM 987 N PRO A 64 -19.582 -2.272 -10.628 1.00 0.39 N ATOM 988 CA PRO A 64 -19.836 -1.992 -9.226 1.00 0.39 C ATOM 989 C PRO A 64 -19.490 -3.219 -8.387 1.00 0.38 C ATOM 990 O PRO A 64 -19.271 -4.302 -8.938 1.00 0.41 O ATOM 991 CB PRO A 64 -21.338 -1.743 -9.237 1.00 0.48 C ATOM 992 CG PRO A 64 -21.865 -2.704 -10.251 1.00 0.55 C ATOM 993 CD PRO A 64 -20.729 -2.993 -11.213 1.00 0.48 C ATOM 0 HA PRO A 64 -19.258 -1.168 -8.808 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.778 -1.920 -8.255 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.568 -0.713 -9.508 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.209 -3.621 -9.772 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.719 -2.280 -10.778 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.532 -4.062 -11.290 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.955 -2.637 -12.218 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.420 -3.088 -7.076 1.00 0.39 N ATOM 1002 CA VAL A 65 -19.005 -4.220 -6.278 1.00 0.40 C ATOM 1003 C VAL A 65 -20.189 -4.798 -5.506 1.00 0.41 C ATOM 1004 O VAL A 65 -20.748 -4.156 -4.618 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.854 -3.859 -5.323 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -17.024 -5.091 -5.033 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -16.973 -2.774 -5.922 1.00 0.95 C ATOM 0 H VAL A 65 -19.638 -2.238 -6.556 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.631 -4.981 -6.962 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.282 -3.481 -4.395 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.210 -4.830 -4.356 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.652 -5.852 -4.569 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.611 -5.479 -5.964 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.167 -2.536 -5.228 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.550 -3.127 -6.863 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -17.570 -1.880 -6.105 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.601 -6.020 -5.872 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.753 -6.688 -5.261 1.00 0.48 C ATOM 1019 C PRO A 66 -21.456 -7.217 -3.864 1.00 0.39 C ATOM 1020 O PRO A 66 -20.295 -7.430 -3.505 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.032 -7.842 -6.223 1.00 0.59 C ATOM 1022 CG PRO A 66 -20.707 -8.155 -6.824 1.00 0.70 C ATOM 1023 CD PRO A 66 -19.976 -6.847 -6.922 1.00 0.46 C ATOM 0 HA PRO A 66 -22.594 -6.008 -5.125 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.444 -8.705 -5.699 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -22.756 -7.557 -6.986 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.156 -8.864 -6.206 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -20.823 -8.612 -7.807 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -18.907 -6.972 -6.751 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -20.090 -6.397 -7.908 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.515 -7.431 -3.090 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.391 -7.916 -1.724 1.00 0.36 C ATOM 1033 C ALA A 67 -21.776 -9.304 -1.695 1.00 0.34 C ATOM 1034 O ALA A 67 -22.287 -10.241 -2.314 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.741 -7.933 -1.034 1.00 0.40 C ATOM 0 H ALA A 67 -23.477 -7.274 -3.391 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.732 -7.233 -1.188 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.624 -8.299 -0.014 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.151 -6.923 -1.012 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.420 -8.589 -1.579 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.685 -9.427 -0.971 1.00 0.32 N ATOM 1042 CA GLY A 68 -19.987 -10.684 -0.886 1.00 0.33 C ATOM 1043 C GLY A 68 -18.537 -10.468 -0.549 1.00 0.27 C ATOM 1044 O GLY A 68 -18.017 -9.364 -0.715 1.00 0.26 O ATOM 0 H GLY A 68 -20.264 -8.669 -0.433 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.452 -11.313 -0.126 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.069 -11.216 -1.834 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.878 -11.503 -0.078 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.492 -11.390 0.319 1.00 0.26 C ATOM 1050 C ARG A 69 -15.578 -11.630 -0.875 1.00 0.26 C ATOM 1051 O ARG A 69 -15.454 -12.753 -1.364 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.185 -12.367 1.441 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.800 -12.202 2.035 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.541 -13.232 3.119 1.00 0.48 C ATOM 1055 NE ARG A 69 -14.881 -14.583 2.684 1.00 1.24 N ATOM 1056 CZ ARG A 69 -14.445 -15.686 3.278 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -13.554 -15.607 4.258 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -14.881 -16.869 2.867 1.00 2.78 N ATOM 0 H ARG A 69 -18.280 -12.433 0.040 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.313 -10.380 0.687 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.926 -12.243 2.231 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.289 -13.384 1.063 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.051 -12.301 1.250 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.697 -11.199 2.450 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -13.490 -13.198 3.407 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -15.123 -12.979 4.005 1.00 0.48 H new ATOM 0 HE ARG A 69 -15.491 -14.685 1.873 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -13.203 -14.697 4.556 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -13.220 -16.456 4.713 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -15.548 -16.928 2.098 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -14.549 -17.720 3.320 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.968 -10.561 -1.355 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.073 -10.632 -2.500 1.00 0.24 C ATOM 1074 C HIS A 70 -12.626 -10.685 -2.042 1.00 0.25 C ATOM 1075 O HIS A 70 -12.261 -10.087 -1.031 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.267 -9.424 -3.424 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.538 -9.444 -4.211 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -15.573 -9.625 -5.572 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.824 -9.297 -3.821 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -16.823 -9.585 -5.986 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -17.608 -9.392 -4.943 1.00 0.47 N ATOM 0 H HIS A 70 -15.077 -9.624 -0.966 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.313 -11.541 -3.051 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.241 -8.515 -2.823 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.427 -9.373 -4.116 1.00 0.30 H new ATOM 0 HD1 HIS A 70 -14.758 -9.768 -6.169 1.00 0.60 H new ATOM 0 HD2 HIS A 70 -17.171 -9.135 -2.811 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -17.151 -9.692 -7.009 1.00 0.62 H new ATOM 1090 N MET A 71 -11.811 -11.401 -2.792 1.00 0.33 N ATOM 1091 CA MET A 71 -10.391 -11.506 -2.508 1.00 0.38 C ATOM 1092 C MET A 71 -9.607 -11.241 -3.780 1.00 0.38 C ATOM 1093 O MET A 71 -9.513 -12.109 -4.651 1.00 0.48 O ATOM 1094 CB MET A 71 -10.053 -12.895 -1.963 1.00 0.47 C ATOM 1095 CG MET A 71 -8.573 -13.098 -1.674 1.00 0.60 C ATOM 1096 SD MET A 71 -8.183 -14.787 -1.176 1.00 0.80 S ATOM 1097 CE MET A 71 -9.153 -14.939 0.324 1.00 1.80 C ATOM 0 H MET A 71 -12.112 -11.925 -3.613 1.00 0.33 H new ATOM 0 HA MET A 71 -10.123 -10.768 -1.752 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.619 -13.063 -1.047 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.380 -13.646 -2.682 1.00 0.47 H new ATOM 0 HG2 MET A 71 -7.996 -12.844 -2.563 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.264 -12.411 -0.886 1.00 0.60 H new ATOM 0 HE1 MET A 71 -8.544 -15.390 1.107 1.00 1.80 H new ATOM 0 HE2 MET A 71 -9.483 -13.951 0.645 1.00 1.80 H new ATOM 0 HE3 MET A 71 -10.022 -15.568 0.133 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.073 -10.040 -3.908 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.368 -9.666 -5.119 1.00 0.31 C ATOM 1109 C PHE A 72 -6.919 -9.319 -4.803 1.00 0.29 C ATOM 1110 O PHE A 72 -6.613 -8.786 -3.732 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.079 -8.504 -5.833 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.802 -7.136 -5.269 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.275 -6.796 -4.012 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.075 -6.195 -5.983 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.030 -5.547 -3.477 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.829 -4.947 -5.452 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.276 -4.604 -4.256 1.00 0.29 C ATOM 0 H PHE A 72 -9.114 -9.312 -3.194 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.371 -10.518 -5.798 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.787 -8.512 -6.883 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.154 -8.682 -5.799 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -9.843 -7.517 -3.443 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.698 -6.442 -6.964 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.397 -5.285 -2.496 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.258 -4.233 -6.026 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.075 -3.617 -3.865 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.032 -9.644 -5.725 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.613 -9.420 -5.528 1.00 0.29 C ATOM 1129 C VAL A 73 -4.183 -8.122 -6.193 1.00 0.30 C ATOM 1130 O VAL A 73 -4.054 -8.045 -7.415 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.771 -10.591 -6.075 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.290 -10.378 -5.788 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.247 -11.909 -5.482 1.00 1.00 C ATOM 0 H VAL A 73 -6.272 -10.066 -6.622 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.439 -9.351 -4.454 1.00 0.29 H new ATOM 0 HB VAL A 73 -3.902 -10.629 -7.156 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -1.718 -11.217 -6.184 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -1.956 -9.456 -6.263 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.134 -10.308 -4.711 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.643 -12.725 -5.878 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.147 -11.877 -4.397 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.292 -12.070 -5.746 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.990 -7.102 -5.382 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.554 -5.810 -5.868 1.00 0.25 C ATOM 1145 C PHE A 74 -2.056 -5.860 -6.129 1.00 0.25 C ATOM 1146 O PHE A 74 -1.297 -6.377 -5.308 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.877 -4.726 -4.835 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.811 -3.320 -5.363 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.623 -2.791 -5.842 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.941 -2.525 -5.372 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.566 -1.498 -6.318 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.889 -1.230 -5.845 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.702 -0.716 -6.317 1.00 0.31 C ATOM 0 H PHE A 74 -4.130 -7.145 -4.373 1.00 0.26 H new ATOM 0 HA PHE A 74 -4.076 -5.570 -6.794 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.877 -4.905 -4.440 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.183 -4.820 -4.000 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -1.730 -3.399 -5.843 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.876 -2.922 -5.005 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.634 -1.099 -6.691 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.780 -0.619 -5.845 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.661 0.298 -6.686 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.641 -5.344 -7.273 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.232 -5.311 -7.625 1.00 0.27 C ATOM 1165 C GLN A 75 0.141 -3.940 -8.175 1.00 0.32 C ATOM 1166 O GLN A 75 -0.409 -3.495 -9.184 1.00 0.41 O ATOM 1167 CB GLN A 75 0.102 -6.396 -8.648 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.089 -7.810 -8.124 1.00 0.49 C ATOM 1169 CD GLN A 75 0.213 -8.858 -9.170 1.00 0.52 C ATOM 1170 OE1 GLN A 75 -0.670 -9.279 -9.919 1.00 1.14 O ATOM 1171 NE2 GLN A 75 1.458 -9.298 -9.224 1.00 1.12 N ATOM 0 H GLN A 75 -2.261 -4.941 -7.975 1.00 0.24 H new ATOM 0 HA GLN A 75 0.348 -5.502 -6.722 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.524 -6.257 -9.529 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.136 -6.274 -8.969 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.558 -7.965 -7.261 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.116 -7.931 -7.778 1.00 0.49 H new ATOM 0 HE21 GLN A 75 2.160 -8.923 -8.586 1.00 1.12 H new ATOM 0 HE22 GLN A 75 1.717 -10.012 -9.904 1.00 1.12 H new ATOM 1180 N ALA A 76 1.062 -3.273 -7.502 1.00 0.36 N ATOM 1181 CA ALA A 76 1.512 -1.950 -7.918 1.00 0.46 C ATOM 1182 C ALA A 76 2.966 -2.007 -8.368 1.00 0.40 C ATOM 1183 O ALA A 76 3.696 -2.912 -7.976 1.00 0.48 O ATOM 1184 CB ALA A 76 1.343 -0.954 -6.781 1.00 0.56 C ATOM 0 H ALA A 76 1.517 -3.626 -6.660 1.00 0.36 H new ATOM 0 HA ALA A 76 0.902 -1.619 -8.759 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.683 0.030 -7.105 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.292 -0.900 -6.498 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.933 -1.277 -5.923 1.00 0.56 H new ATOM 1190 N ASP A 77 3.386 -1.048 -9.183 1.00 0.56 N ATOM 1191 CA ASP A 77 4.755 -1.040 -9.704 1.00 0.61 C ATOM 1192 C ASP A 77 5.729 -0.493 -8.659 1.00 0.43 C ATOM 1193 O ASP A 77 5.339 -0.190 -7.530 1.00 0.47 O ATOM 1194 CB ASP A 77 4.841 -0.203 -10.985 1.00 0.95 C ATOM 1195 CG ASP A 77 5.876 -0.736 -11.960 1.00 1.54 C ATOM 1196 OD1 ASP A 77 7.083 -0.511 -11.739 1.00 2.06 O ATOM 1197 OD2 ASP A 77 5.481 -1.389 -12.952 1.00 2.13 O ATOM 0 H ASP A 77 2.807 -0.270 -9.498 1.00 0.56 H new ATOM 0 HA ASP A 77 5.032 -2.068 -9.936 1.00 0.61 H new ATOM 0 HB2 ASP A 77 3.865 -0.186 -11.470 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.087 0.827 -10.726 1.00 0.95 H new ATOM 1202 N ALA A 78 6.994 -0.371 -9.038 1.00 0.45 N ATOM 1203 CA ALA A 78 8.014 0.149 -8.149 1.00 0.36 C ATOM 1204 C ALA A 78 7.947 1.671 -8.089 1.00 0.37 C ATOM 1205 O ALA A 78 7.937 2.342 -9.126 1.00 0.46 O ATOM 1206 CB ALA A 78 9.388 -0.305 -8.612 1.00 0.40 C ATOM 0 H ALA A 78 7.336 -0.629 -9.964 1.00 0.45 H new ATOM 0 HA ALA A 78 7.835 -0.240 -7.146 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.148 0.090 -7.938 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.431 -1.394 -8.609 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.572 0.063 -9.622 1.00 0.40 H new ATOM 1212 N PRO A 79 7.876 2.230 -6.874 1.00 0.34 N ATOM 1213 CA PRO A 79 7.852 3.680 -6.660 1.00 0.43 C ATOM 1214 C PRO A 79 9.127 4.356 -7.154 1.00 0.41 C ATOM 1215 O PRO A 79 10.232 3.922 -6.832 1.00 0.47 O ATOM 1216 CB PRO A 79 7.721 3.823 -5.141 1.00 0.47 C ATOM 1217 CG PRO A 79 8.172 2.518 -4.588 1.00 0.53 C ATOM 1218 CD PRO A 79 7.800 1.486 -5.609 1.00 0.33 C ATOM 0 HA PRO A 79 7.042 4.158 -7.211 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.335 4.643 -4.768 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.692 4.039 -4.853 1.00 0.47 H new ATOM 0 HG2 PRO A 79 9.247 2.521 -4.410 1.00 0.53 H new ATOM 0 HG3 PRO A 79 7.691 2.312 -3.632 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.487 0.640 -5.597 1.00 0.33 H new ATOM 0 HD3 PRO A 79 6.801 1.088 -5.435 1.00 0.33 H new ATOM 1226 N ASN A 80 8.950 5.416 -7.939 1.00 0.43 N ATOM 1227 CA ASN A 80 10.061 6.157 -8.543 1.00 0.46 C ATOM 1228 C ASN A 80 11.162 6.460 -7.532 1.00 0.40 C ATOM 1229 O ASN A 80 10.934 7.154 -6.538 1.00 0.39 O ATOM 1230 CB ASN A 80 9.547 7.466 -9.153 1.00 0.56 C ATOM 1231 CG ASN A 80 10.648 8.304 -9.787 1.00 1.33 C ATOM 1232 OD1 ASN A 80 11.681 7.788 -10.209 1.00 2.19 O ATOM 1233 ND2 ASN A 80 10.426 9.604 -9.870 1.00 1.59 N ATOM 0 H ASN A 80 8.031 5.788 -8.176 1.00 0.43 H new ATOM 0 HA ASN A 80 10.489 5.527 -9.323 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.794 7.237 -9.907 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.054 8.052 -8.377 1.00 0.56 H new ATOM 0 HD21 ASN A 80 11.124 10.214 -10.295 1.00 1.59 H new ATOM 0 HD22 ASN A 80 9.557 9.997 -9.509 1.00 1.59 H new ATOM 1240 N PRO A 81 12.379 5.949 -7.791 1.00 0.41 N ATOM 1241 CA PRO A 81 13.554 6.182 -6.938 1.00 0.41 C ATOM 1242 C PRO A 81 13.973 7.651 -6.921 1.00 0.43 C ATOM 1243 O PRO A 81 14.868 8.045 -6.177 1.00 0.48 O ATOM 1244 CB PRO A 81 14.648 5.317 -7.578 1.00 0.47 C ATOM 1245 CG PRO A 81 13.919 4.348 -8.440 1.00 0.54 C ATOM 1246 CD PRO A 81 12.707 5.079 -8.930 1.00 0.48 C ATOM 0 HA PRO A 81 13.355 5.929 -5.897 1.00 0.41 H new ATOM 0 HB2 PRO A 81 15.339 5.924 -8.163 1.00 0.47 H new ATOM 0 HB3 PRO A 81 15.239 4.803 -6.820 1.00 0.47 H new ATOM 0 HG2 PRO A 81 14.541 4.018 -9.272 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.639 3.457 -7.878 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.917 5.653 -9.832 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.891 4.397 -9.168 1.00 0.48 H new ATOM 1254 N GLY A 82 13.313 8.455 -7.747 1.00 0.45 N ATOM 1255 CA GLY A 82 13.560 9.879 -7.757 1.00 0.49 C ATOM 1256 C GLY A 82 12.804 10.570 -6.644 1.00 0.48 C ATOM 1257 O GLY A 82 13.070 11.725 -6.316 1.00 0.51 O ATOM 0 H GLY A 82 12.607 8.140 -8.413 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.628 10.067 -7.647 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.260 10.297 -8.718 1.00 0.49 H new ATOM 1261 N LEU A 83 11.832 9.860 -6.082 1.00 0.46 N ATOM 1262 CA LEU A 83 11.083 10.359 -4.939 1.00 0.49 C ATOM 1263 C LEU A 83 11.640 9.794 -3.642 1.00 0.46 C ATOM 1264 O LEU A 83 11.610 10.464 -2.612 1.00 0.52 O ATOM 1265 CB LEU A 83 9.598 10.006 -5.054 1.00 0.52 C ATOM 1266 CG LEU A 83 8.735 10.974 -5.868 1.00 0.58 C ATOM 1267 CD1 LEU A 83 8.787 12.374 -5.278 1.00 1.60 C ATOM 1268 CD2 LEU A 83 9.163 10.999 -7.319 1.00 1.34 C ATOM 0 H LEU A 83 11.545 8.935 -6.402 1.00 0.46 H new ATOM 0 HA LEU A 83 11.185 11.444 -4.930 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.515 9.015 -5.500 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.183 9.939 -4.048 1.00 0.52 H new ATOM 0 HG LEU A 83 7.706 10.617 -5.822 1.00 0.58 H new ATOM 0 HD11 LEU A 83 8.166 13.043 -5.874 1.00 1.60 H new ATOM 0 HD12 LEU A 83 8.416 12.351 -4.253 1.00 1.60 H new ATOM 0 HD13 LEU A 83 9.816 12.733 -5.283 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.532 11.695 -7.872 1.00 1.34 H new ATOM 0 HD22 LEU A 83 10.203 11.319 -7.386 1.00 1.34 H new ATOM 0 HD23 LEU A 83 9.063 10.001 -7.745 1.00 1.34 H new ATOM 1280 N ILE A 84 12.140 8.560 -3.693 1.00 0.41 N ATOM 1281 CA ILE A 84 12.700 7.925 -2.508 1.00 0.40 C ATOM 1282 C ILE A 84 14.081 8.501 -2.192 1.00 0.46 C ATOM 1283 O ILE A 84 15.034 8.309 -2.948 1.00 0.52 O ATOM 1284 CB ILE A 84 12.804 6.393 -2.680 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.461 5.819 -3.145 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.233 5.743 -1.370 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.493 4.328 -3.401 1.00 0.33 C ATOM 0 H ILE A 84 12.167 7.987 -4.536 1.00 0.41 H new ATOM 0 HA ILE A 84 12.024 8.132 -1.679 1.00 0.40 H new ATOM 0 HB ILE A 84 13.556 6.177 -3.439 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.704 6.033 -2.391 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.155 6.329 -4.058 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.302 4.664 -1.505 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.205 6.135 -1.071 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.499 5.965 -0.596 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.508 3.994 -3.727 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.226 4.108 -4.177 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.768 3.807 -2.484 1.00 0.33 H new ATOM 1299 N PRO A 85 14.190 9.227 -1.070 1.00 0.48 N ATOM 1300 CA PRO A 85 15.423 9.898 -0.648 1.00 0.57 C ATOM 1301 C PRO A 85 16.491 8.911 -0.197 1.00 0.56 C ATOM 1302 O PRO A 85 16.189 7.764 0.135 1.00 0.55 O ATOM 1303 CB PRO A 85 14.973 10.778 0.531 1.00 0.68 C ATOM 1304 CG PRO A 85 13.488 10.800 0.439 1.00 0.81 C ATOM 1305 CD PRO A 85 13.113 9.465 -0.112 1.00 0.50 C ATOM 0 HA PRO A 85 15.878 10.460 -1.463 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.305 10.364 1.483 1.00 0.68 H new ATOM 0 HB3 PRO A 85 15.389 11.783 0.457 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.035 10.964 1.417 1.00 0.81 H new ATOM 0 HG3 PRO A 85 13.145 11.605 -0.211 1.00 0.81 H new ATOM 0 HD2 PRO A 85 13.077 8.698 0.662 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.134 9.480 -0.592 1.00 0.50 H new ATOM 1313 N ASP A 86 17.732 9.376 -0.163 1.00 0.67 N ATOM 1314 CA ASP A 86 18.872 8.523 0.159 1.00 0.76 C ATOM 1315 C ASP A 86 18.710 7.905 1.541 1.00 0.78 C ATOM 1316 O ASP A 86 18.825 6.689 1.714 1.00 0.86 O ATOM 1317 CB ASP A 86 20.180 9.323 0.118 1.00 0.98 C ATOM 1318 CG ASP A 86 20.362 10.103 -1.172 1.00 1.52 C ATOM 1319 OD1 ASP A 86 20.583 9.466 -2.225 1.00 1.92 O ATOM 1320 OD2 ASP A 86 20.294 11.346 -1.141 1.00 2.29 O ATOM 0 H ASP A 86 17.978 10.347 -0.356 1.00 0.67 H new ATOM 0 HA ASP A 86 18.911 7.731 -0.588 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.202 10.015 0.960 1.00 0.98 H new ATOM 0 HB3 ASP A 86 21.020 8.640 0.244 1.00 0.98 H new ATOM 1325 N ALA A 87 18.414 8.754 2.515 1.00 0.83 N ATOM 1326 CA ALA A 87 18.290 8.324 3.902 1.00 0.99 C ATOM 1327 C ALA A 87 17.082 7.419 4.103 1.00 0.90 C ATOM 1328 O ALA A 87 17.122 6.490 4.910 1.00 1.07 O ATOM 1329 CB ALA A 87 18.203 9.533 4.824 1.00 1.25 C ATOM 0 H ALA A 87 18.254 9.751 2.369 1.00 0.83 H new ATOM 0 HA ALA A 87 19.181 7.748 4.152 1.00 0.99 H new ATOM 0 HB1 ALA A 87 18.111 9.197 5.857 1.00 1.25 H new ATOM 0 HB2 ALA A 87 19.104 10.137 4.718 1.00 1.25 H new ATOM 0 HB3 ALA A 87 17.332 10.132 4.558 1.00 1.25 H new ATOM 1335 N ASP A 88 16.015 7.680 3.357 1.00 0.76 N ATOM 1336 CA ASP A 88 14.776 6.932 3.526 1.00 0.78 C ATOM 1337 C ASP A 88 14.815 5.606 2.773 1.00 0.62 C ATOM 1338 O ASP A 88 14.118 4.659 3.137 1.00 0.64 O ATOM 1339 CB ASP A 88 13.573 7.757 3.066 1.00 0.99 C ATOM 1340 CG ASP A 88 13.304 8.952 3.965 1.00 1.41 C ATOM 1341 OD1 ASP A 88 13.457 8.819 5.197 1.00 1.68 O ATOM 1342 OD2 ASP A 88 12.922 10.023 3.445 1.00 1.94 O ATOM 0 H ASP A 88 15.983 8.399 2.634 1.00 0.76 H new ATOM 0 HA ASP A 88 14.672 6.718 4.590 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.744 8.105 2.047 1.00 0.99 H new ATOM 0 HB3 ASP A 88 12.689 7.120 3.041 1.00 0.99 H new ATOM 1347 N ALA A 89 15.629 5.542 1.723 1.00 0.54 N ATOM 1348 CA ALA A 89 15.762 4.324 0.932 1.00 0.49 C ATOM 1349 C ALA A 89 16.419 3.217 1.745 1.00 0.44 C ATOM 1350 O ALA A 89 15.985 2.070 1.713 1.00 0.51 O ATOM 1351 CB ALA A 89 16.559 4.592 -0.335 1.00 0.48 C ATOM 0 H ALA A 89 16.206 6.319 1.401 1.00 0.54 H new ATOM 0 HA ALA A 89 14.762 3.995 0.651 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.647 3.671 -0.911 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.049 5.347 -0.933 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.554 4.951 -0.070 1.00 0.48 H new ATOM 1357 N VAL A 90 17.461 3.573 2.484 1.00 0.41 N ATOM 1358 CA VAL A 90 18.164 2.617 3.335 1.00 0.43 C ATOM 1359 C VAL A 90 17.501 2.578 4.716 1.00 0.43 C ATOM 1360 O VAL A 90 18.176 2.539 5.747 1.00 0.49 O ATOM 1361 CB VAL A 90 19.656 2.993 3.494 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.460 1.819 4.043 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.235 3.466 2.172 1.00 0.54 C ATOM 0 H VAL A 90 17.841 4.519 2.513 1.00 0.41 H new ATOM 0 HA VAL A 90 18.107 1.637 2.862 1.00 0.43 H new ATOM 0 HB VAL A 90 19.722 3.812 4.210 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.505 2.110 4.145 1.00 0.56 H new ATOM 0 HG12 VAL A 90 20.066 1.533 5.018 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.384 0.974 3.359 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.285 3.725 2.307 1.00 0.54 H new ATOM 0 HG22 VAL A 90 20.150 2.670 1.432 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.686 4.342 1.827 1.00 0.54 H new ATOM 1373 N GLY A 91 16.178 2.603 4.739 1.00 0.42 N ATOM 1374 CA GLY A 91 15.480 2.766 5.996 1.00 0.46 C ATOM 1375 C GLY A 91 14.023 2.365 5.932 1.00 0.43 C ATOM 1376 O GLY A 91 13.681 1.311 5.392 1.00 0.62 O ATOM 0 H GLY A 91 15.579 2.514 3.918 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.980 2.170 6.760 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.549 3.808 6.309 1.00 0.46 H new ATOM 1380 N VAL A 92 13.160 3.215 6.471 1.00 0.40 N ATOM 1381 CA VAL A 92 11.753 2.884 6.628 1.00 0.38 C ATOM 1382 C VAL A 92 10.871 3.743 5.725 1.00 0.36 C ATOM 1383 O VAL A 92 11.124 4.934 5.531 1.00 0.55 O ATOM 1384 CB VAL A 92 11.303 3.059 8.097 1.00 0.50 C ATOM 1385 CG1 VAL A 92 9.855 2.629 8.292 1.00 1.07 C ATOM 1386 CG2 VAL A 92 12.217 2.283 9.031 1.00 1.23 C ATOM 0 H VAL A 92 13.413 4.144 6.808 1.00 0.40 H new ATOM 0 HA VAL A 92 11.638 1.839 6.338 1.00 0.38 H new ATOM 0 HB VAL A 92 11.371 4.119 8.340 1.00 0.50 H new ATOM 0 HG11 VAL A 92 9.572 2.765 9.336 1.00 1.07 H new ATOM 0 HG12 VAL A 92 9.207 3.235 7.658 1.00 1.07 H new ATOM 0 HG13 VAL A 92 9.748 1.579 8.021 1.00 1.07 H new ATOM 0 HG21 VAL A 92 11.885 2.418 10.060 1.00 1.23 H new ATOM 0 HG22 VAL A 92 12.184 1.224 8.775 1.00 1.23 H new ATOM 0 HG23 VAL A 92 13.238 2.650 8.928 1.00 1.23 H new ATOM 1396 N THR A 93 9.845 3.116 5.175 1.00 0.28 N ATOM 1397 CA THR A 93 8.846 3.776 4.363 1.00 0.28 C ATOM 1398 C THR A 93 7.491 3.175 4.688 1.00 0.27 C ATOM 1399 O THR A 93 7.421 2.156 5.362 1.00 0.41 O ATOM 1400 CB THR A 93 9.137 3.611 2.862 1.00 0.35 C ATOM 1401 OG1 THR A 93 9.954 2.454 2.641 1.00 0.63 O ATOM 1402 CG2 THR A 93 9.823 4.842 2.306 1.00 0.59 C ATOM 0 H THR A 93 9.683 2.115 5.285 1.00 0.28 H new ATOM 0 HA THR A 93 8.861 4.843 4.586 1.00 0.28 H new ATOM 0 HB THR A 93 8.187 3.482 2.343 1.00 0.35 H new ATOM 0 HG1 THR A 93 9.918 2.204 1.694 1.00 0.63 H new ATOM 0 HG21 THR A 93 10.018 4.701 1.243 1.00 0.59 H new ATOM 0 HG22 THR A 93 9.180 5.711 2.445 1.00 0.59 H new ATOM 0 HG23 THR A 93 10.765 5.001 2.830 1.00 0.59 H new ATOM 1410 N VAL A 94 6.419 3.798 4.253 1.00 0.25 N ATOM 1411 CA VAL A 94 5.100 3.254 4.523 1.00 0.25 C ATOM 1412 C VAL A 94 4.333 3.065 3.223 1.00 0.24 C ATOM 1413 O VAL A 94 4.267 3.968 2.392 1.00 0.28 O ATOM 1414 CB VAL A 94 4.283 4.162 5.474 1.00 0.30 C ATOM 1415 CG1 VAL A 94 3.019 3.457 5.937 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.121 4.596 6.669 1.00 0.32 C ATOM 0 H VAL A 94 6.428 4.667 3.719 1.00 0.25 H new ATOM 0 HA VAL A 94 5.242 2.291 5.013 1.00 0.25 H new ATOM 0 HB VAL A 94 3.996 5.055 4.920 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.460 4.113 6.604 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.403 3.209 5.072 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.286 2.543 6.467 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.523 5.233 7.321 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.449 3.716 7.223 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.992 5.150 6.320 1.00 0.32 H new ATOM 1426 N VAL A 95 3.781 1.883 3.033 1.00 0.22 N ATOM 1427 CA VAL A 95 2.927 1.633 1.884 1.00 0.22 C ATOM 1428 C VAL A 95 1.467 1.682 2.315 1.00 0.24 C ATOM 1429 O VAL A 95 1.020 0.883 3.144 1.00 0.34 O ATOM 1430 CB VAL A 95 3.256 0.290 1.180 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.167 -0.887 2.137 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.345 0.076 -0.020 1.00 0.60 C ATOM 0 H VAL A 95 3.906 1.084 3.654 1.00 0.22 H new ATOM 0 HA VAL A 95 3.115 2.416 1.150 1.00 0.22 H new ATOM 0 HB VAL A 95 4.287 0.349 0.830 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.405 -1.808 1.604 1.00 0.54 H new ATOM 0 HG12 VAL A 95 3.876 -0.747 2.953 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.157 -0.952 2.541 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.592 -0.871 -0.500 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.307 0.056 0.311 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.483 0.890 -0.732 1.00 0.60 H new ATOM 1442 N LEU A 96 0.739 2.651 1.787 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.641 2.854 2.182 1.00 0.26 C ATOM 1444 C LEU A 96 -1.594 2.410 1.092 1.00 0.24 C ATOM 1445 O LEU A 96 -1.358 2.639 -0.091 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.907 4.322 2.498 1.00 0.44 C ATOM 1447 CG LEU A 96 0.036 4.963 3.518 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -0.170 6.467 3.558 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.193 4.370 4.898 1.00 1.21 C ATOM 0 H LEU A 96 1.081 3.307 1.085 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.810 2.252 3.075 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -0.849 4.891 1.570 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -1.929 4.416 2.866 1.00 0.44 H new ATOM 0 HG LEU A 96 1.062 4.757 3.213 1.00 0.61 H new ATOM 0 HD11 LEU A 96 0.508 6.908 4.289 1.00 1.13 H new ATOM 0 HD12 LEU A 96 0.033 6.888 2.574 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.200 6.686 3.841 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.486 4.837 5.612 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -1.223 4.551 5.205 1.00 1.21 H new ATOM 0 HD23 LEU A 96 -0.006 3.297 4.868 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.658 1.769 1.507 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.750 1.441 0.617 1.00 0.24 C ATOM 1463 C ILE A 97 -5.004 2.161 1.080 1.00 0.26 C ATOM 1464 O ILE A 97 -5.585 1.811 2.109 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.024 -0.078 0.568 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.781 -0.831 0.088 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.214 -0.370 -0.339 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -2.966 -2.332 0.038 1.00 0.30 C ATOM 0 H ILE A 97 -2.794 1.459 2.469 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.469 1.760 -0.387 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.264 -0.422 1.574 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.510 -0.473 -0.905 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -1.947 -0.598 0.749 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.397 -1.444 -0.365 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.098 0.139 0.045 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.999 -0.014 -1.347 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.046 -2.801 -0.311 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.207 -2.702 1.034 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.779 -2.576 -0.646 1.00 0.30 H new ATOM 1480 N THR A 98 -5.394 3.185 0.349 1.00 0.29 N ATOM 1481 CA THR A 98 -6.589 3.931 0.679 1.00 0.33 C ATOM 1482 C THR A 98 -7.727 3.512 -0.239 1.00 0.28 C ATOM 1483 O THR A 98 -7.534 3.328 -1.442 1.00 0.37 O ATOM 1484 CB THR A 98 -6.360 5.453 0.583 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.916 5.815 -0.727 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.334 5.913 1.608 1.00 1.07 C ATOM 0 H THR A 98 -4.900 3.519 -0.478 1.00 0.29 H new ATOM 0 HA THR A 98 -6.851 3.705 1.713 1.00 0.33 H new ATOM 0 HB THR A 98 -7.311 5.944 0.788 1.00 0.43 H new ATOM 0 HG1 THR A 98 -6.329 6.664 -0.990 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.190 6.990 1.520 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.689 5.675 2.611 1.00 1.07 H new ATOM 0 HG23 THR A 98 -4.387 5.404 1.428 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.896 3.314 0.337 1.00 0.28 N ATOM 1495 CA CYS A 99 -10.052 2.898 -0.431 1.00 0.29 C ATOM 1496 C CYS A 99 -11.059 4.031 -0.514 1.00 0.31 C ATOM 1497 O CYS A 99 -11.575 4.493 0.507 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.676 1.666 0.209 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.478 0.365 0.571 1.00 1.32 S ATOM 0 H CYS A 99 -9.070 3.435 1.335 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.740 2.645 -1.444 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.175 1.958 1.133 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.443 1.269 -0.456 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.742 -0.682 -0.153 1.00 1.32 H new ATOM 1505 N THR A 100 -11.331 4.471 -1.729 1.00 0.34 N ATOM 1506 CA THR A 100 -12.158 5.639 -1.952 1.00 0.38 C ATOM 1507 C THR A 100 -13.555 5.255 -2.434 1.00 0.37 C ATOM 1508 O THR A 100 -13.709 4.452 -3.357 1.00 0.41 O ATOM 1509 CB THR A 100 -11.507 6.561 -3.001 1.00 0.43 C ATOM 1510 OG1 THR A 100 -10.090 6.597 -2.810 1.00 0.47 O ATOM 1511 CG2 THR A 100 -12.055 7.971 -2.909 1.00 0.50 C ATOM 0 H THR A 100 -10.987 4.031 -2.583 1.00 0.34 H new ATOM 0 HA THR A 100 -12.247 6.159 -0.998 1.00 0.38 H new ATOM 0 HB THR A 100 -11.740 6.159 -3.987 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.640 6.432 -3.665 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.576 8.597 -3.662 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.131 7.955 -3.081 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.852 8.376 -1.918 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.570 5.818 -1.793 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.940 5.695 -2.266 1.00 0.40 C ATOM 1521 C TYR A 101 -16.601 7.064 -2.218 1.00 0.44 C ATOM 1522 O TYR A 101 -16.484 7.770 -1.219 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.729 4.694 -1.421 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.961 4.154 -2.117 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.874 3.459 -3.319 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -19.220 4.345 -1.565 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.009 2.976 -3.949 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.355 3.865 -2.186 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.206 3.142 -3.415 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.382 2.710 -3.998 1.00 0.65 O ATOM 0 H TYR A 101 -14.468 6.367 -0.939 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.930 5.323 -3.291 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -16.077 3.862 -1.156 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -17.029 5.174 -0.489 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -16.906 3.293 -3.768 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -19.313 4.880 -0.631 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -18.914 2.456 -4.891 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -21.332 4.030 -1.756 1.00 0.73 H new ATOM 0 HH TYR A 101 -21.980 3.475 -4.134 1.00 0.65 H new ATOM 1540 N ARG A 102 -17.258 7.449 -3.312 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.875 8.778 -3.437 1.00 0.59 C ATOM 1542 C ARG A 102 -16.815 9.874 -3.454 1.00 0.57 C ATOM 1543 O ARG A 102 -17.127 11.056 -3.314 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.853 9.055 -2.286 1.00 0.65 C ATOM 1545 CG ARG A 102 -20.017 8.087 -2.211 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.858 8.133 -3.469 1.00 0.86 C ATOM 1547 NE ARG A 102 -22.124 7.418 -3.298 1.00 1.26 N ATOM 1548 CZ ARG A 102 -23.159 7.513 -4.130 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -23.109 8.343 -5.165 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -24.254 6.792 -3.914 1.00 2.45 N ATOM 0 H ARG A 102 -17.379 6.857 -4.133 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.422 8.783 -4.380 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.306 9.021 -1.344 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.243 10.067 -2.392 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.641 7.075 -2.060 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.638 8.328 -1.348 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -21.059 9.171 -3.735 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -20.300 7.694 -4.296 1.00 0.86 H new ATOM 0 HE ARG A 102 -22.219 6.806 -2.487 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -22.276 8.910 -5.324 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -23.903 8.414 -5.801 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -24.302 6.165 -3.111 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -25.047 6.865 -4.552 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.567 9.480 -3.648 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.477 10.430 -3.596 1.00 0.53 C ATOM 1566 C GLY A 103 -13.989 10.635 -2.179 1.00 0.49 C ATOM 1567 O GLY A 103 -13.212 11.545 -1.901 1.00 0.57 O ATOM 0 H GLY A 103 -15.289 8.518 -3.841 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.655 10.076 -4.218 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.804 11.383 -4.011 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.464 9.778 -1.284 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.106 9.839 0.122 1.00 0.44 C ATOM 1573 C GLN A 104 -13.485 8.515 0.555 1.00 0.37 C ATOM 1574 O GLN A 104 -14.108 7.458 0.440 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.354 10.146 0.947 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.061 11.417 0.498 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.412 11.626 1.150 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.318 12.197 0.545 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -17.561 11.188 2.388 1.00 0.98 N ATOM 0 H GLN A 104 -15.108 9.022 -1.515 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.374 10.630 0.283 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.046 9.307 0.876 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.075 10.242 1.996 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.424 12.274 0.719 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.190 11.387 -0.584 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -16.788 10.719 2.859 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.449 11.319 2.872 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.249 8.575 1.020 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.516 7.383 1.417 1.00 0.32 C ATOM 1590 C GLU A 105 -11.926 6.950 2.824 1.00 0.32 C ATOM 1591 O GLU A 105 -11.838 7.728 3.773 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.015 7.664 1.324 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.595 8.099 -0.076 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.199 8.691 -0.131 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -7.945 9.711 0.554 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.344 8.135 -0.856 1.00 1.59 O ATOM 0 H GLU A 105 -11.727 9.444 1.133 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.755 6.559 0.745 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.748 8.442 2.039 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.461 6.768 1.605 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.644 7.240 -0.745 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.308 8.834 -0.449 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.387 5.709 2.946 1.00 0.26 N ATOM 1604 CA PHE A 106 -12.984 5.233 4.193 1.00 0.27 C ATOM 1605 C PHE A 106 -12.044 4.350 5.003 1.00 0.26 C ATOM 1606 O PHE A 106 -12.344 4.010 6.143 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.290 4.478 3.913 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.187 3.419 2.848 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.841 2.114 3.167 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.459 3.729 1.526 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.766 1.143 2.184 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.383 2.763 0.542 1.00 0.29 C ATOM 1613 CZ PHE A 106 -14.037 1.471 0.869 1.00 0.31 C ATOM 0 H PHE A 106 -12.360 5.015 2.199 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.191 6.120 4.791 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.630 4.012 4.838 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.054 5.197 3.618 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.628 1.853 4.193 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.734 4.739 1.261 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -13.496 0.130 2.444 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.595 3.021 -0.485 1.00 0.29 H new ATOM 0 HZ PHE A 106 -13.977 0.715 0.100 1.00 0.31 H new ATOM 1623 N ILE A 107 -10.927 3.953 4.421 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.964 3.130 5.137 1.00 0.24 C ATOM 1625 C ILE A 107 -8.567 3.310 4.554 1.00 0.22 C ATOM 1626 O ILE A 107 -8.411 3.600 3.367 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.362 1.633 5.141 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.445 0.834 6.076 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.331 1.057 3.735 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.780 -0.641 6.156 1.00 0.37 C ATOM 0 H ILE A 107 -10.664 4.184 3.463 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.961 3.466 6.174 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.384 1.555 5.513 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.414 0.944 5.738 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.500 1.263 7.076 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.614 0.005 3.766 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -11.031 1.603 3.103 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.325 1.150 3.326 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -9.087 -1.135 6.837 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.799 -0.763 6.524 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.696 -1.087 5.165 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.562 3.165 5.403 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.178 3.259 4.996 1.00 0.24 C ATOM 1644 C ARG A 108 -5.371 2.115 5.598 1.00 0.24 C ATOM 1645 O ARG A 108 -5.290 1.980 6.821 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.601 4.591 5.462 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.124 4.755 5.179 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.532 5.855 6.036 1.00 0.58 C ATOM 1649 NE ARG A 108 -3.672 5.561 7.465 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.012 6.209 8.428 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -2.212 7.227 8.126 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.161 5.845 9.696 1.00 0.95 N ATOM 0 H ARG A 108 -7.689 2.978 6.398 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.123 3.195 3.909 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.146 5.401 4.976 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.768 4.692 6.534 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.605 3.816 5.374 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -3.975 4.989 4.125 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.477 5.980 5.791 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.026 6.800 5.808 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.312 4.816 7.741 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -2.100 7.517 7.154 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -1.710 7.718 8.866 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -3.780 5.070 9.935 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -2.657 6.340 10.431 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.801 1.286 4.741 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.902 0.229 5.177 1.00 0.22 C ATOM 1668 C VAL A 109 -2.461 0.723 5.139 1.00 0.24 C ATOM 1669 O VAL A 109 -1.961 1.092 4.087 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.026 -1.025 4.288 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -2.958 -2.044 4.648 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.411 -1.643 4.413 1.00 0.27 C ATOM 0 H VAL A 109 -4.946 1.324 3.732 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.181 -0.040 6.196 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.879 -0.720 3.252 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.062 -2.921 4.010 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -1.971 -1.604 4.502 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.073 -2.338 5.691 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.474 -2.526 3.777 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.590 -1.929 5.450 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.163 -0.917 4.102 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.808 0.745 6.286 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.441 1.210 6.341 1.00 0.25 C ATOM 1684 C GLY A 110 0.532 0.133 6.776 1.00 0.21 C ATOM 1685 O GLY A 110 0.556 -0.256 7.938 1.00 0.27 O ATOM 0 H GLY A 110 -2.199 0.449 7.181 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.149 1.581 5.358 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.376 2.051 7.031 1.00 0.25 H new ATOM 1689 N TYR A 111 1.322 -0.364 5.843 1.00 0.23 N ATOM 1690 CA TYR A 111 2.398 -1.291 6.177 1.00 0.24 C ATOM 1691 C TYR A 111 3.718 -0.555 6.182 1.00 0.23 C ATOM 1692 O TYR A 111 4.012 0.217 5.266 1.00 0.27 O ATOM 1693 CB TYR A 111 2.492 -2.451 5.188 1.00 0.32 C ATOM 1694 CG TYR A 111 1.332 -3.412 5.232 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.136 -4.238 6.327 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.418 -3.473 4.190 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.063 -5.103 6.383 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.661 -4.329 4.239 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.773 -5.219 5.289 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.912 -5.991 5.394 1.00 0.40 O ATOM 0 H TYR A 111 1.243 -0.145 4.850 1.00 0.23 H new ATOM 0 HA TYR A 111 2.175 -1.700 7.162 1.00 0.24 H new ATOM 0 HB2 TYR A 111 2.572 -2.045 4.180 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.411 -3.003 5.383 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.835 -4.204 7.150 1.00 0.29 H new ATOM 0 HD2 TYR A 111 0.554 -2.839 3.326 1.00 0.30 H new ATOM 0 HE1 TYR A 111 -0.122 -5.684 7.274 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.412 -4.304 3.463 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.660 -6.930 5.518 1.00 0.40 H new ATOM 1710 N TYR A 112 4.511 -0.787 7.205 1.00 0.25 N ATOM 1711 CA TYR A 112 5.813 -0.165 7.286 1.00 0.25 C ATOM 1712 C TYR A 112 6.850 -1.032 6.595 1.00 0.27 C ATOM 1713 O TYR A 112 7.166 -2.135 7.037 1.00 0.33 O ATOM 1714 CB TYR A 112 6.202 0.108 8.738 1.00 0.29 C ATOM 1715 CG TYR A 112 5.358 1.185 9.385 1.00 0.37 C ATOM 1716 CD1 TYR A 112 4.043 0.932 9.759 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.880 2.445 9.638 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.275 1.908 10.366 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.119 3.423 10.243 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.795 3.171 10.541 1.00 0.64 C ATOM 1721 OH TYR A 112 3.060 4.126 11.214 1.00 0.78 O ATOM 0 H TYR A 112 4.279 -1.398 7.988 1.00 0.25 H new ATOM 0 HA TYR A 112 5.770 0.796 6.773 1.00 0.25 H new ATOM 0 HB2 TYR A 112 6.108 -0.813 9.313 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.251 0.403 8.778 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.615 -0.042 9.572 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.899 2.664 9.356 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.274 1.681 10.701 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.557 4.381 10.482 1.00 0.60 H new ATOM 0 HH TYR A 112 3.569 4.963 11.253 1.00 0.78 H new ATOM 1731 N VAL A 113 7.347 -0.530 5.488 1.00 0.27 N ATOM 1732 CA VAL A 113 8.340 -1.223 4.705 1.00 0.31 C ATOM 1733 C VAL A 113 9.735 -0.873 5.199 1.00 0.28 C ATOM 1734 O VAL A 113 10.078 0.302 5.339 1.00 0.31 O ATOM 1735 CB VAL A 113 8.220 -0.850 3.216 1.00 0.42 C ATOM 1736 CG1 VAL A 113 9.303 -1.529 2.405 1.00 0.96 C ATOM 1737 CG2 VAL A 113 6.844 -1.210 2.680 1.00 1.19 C ATOM 0 H VAL A 113 7.072 0.374 5.105 1.00 0.27 H new ATOM 0 HA VAL A 113 8.171 -2.294 4.817 1.00 0.31 H new ATOM 0 HB VAL A 113 8.350 0.228 3.125 1.00 0.42 H new ATOM 0 HG11 VAL A 113 9.200 -1.252 1.356 1.00 0.96 H new ATOM 0 HG12 VAL A 113 10.281 -1.215 2.769 1.00 0.96 H new ATOM 0 HG13 VAL A 113 9.209 -2.610 2.506 1.00 0.96 H new ATOM 0 HG21 VAL A 113 6.781 -0.938 1.626 1.00 1.19 H new ATOM 0 HG22 VAL A 113 6.680 -2.282 2.788 1.00 1.19 H new ATOM 0 HG23 VAL A 113 6.082 -0.668 3.241 1.00 1.19 H new ATOM 1747 N ASN A 114 10.527 -1.893 5.475 1.00 0.29 N ATOM 1748 CA ASN A 114 11.893 -1.692 5.917 1.00 0.32 C ATOM 1749 C ASN A 114 12.843 -2.185 4.837 1.00 0.32 C ATOM 1750 O ASN A 114 12.890 -3.381 4.537 1.00 0.35 O ATOM 1751 CB ASN A 114 12.143 -2.428 7.235 1.00 0.42 C ATOM 1752 CG ASN A 114 13.333 -1.874 7.995 1.00 0.84 C ATOM 1753 OD1 ASN A 114 14.466 -2.309 7.808 1.00 1.63 O ATOM 1754 ND2 ASN A 114 13.076 -0.914 8.871 1.00 1.28 N ATOM 0 H ASN A 114 10.246 -2.871 5.400 1.00 0.29 H new ATOM 0 HA ASN A 114 12.066 -0.630 6.090 1.00 0.32 H new ATOM 0 HB2 ASN A 114 11.253 -2.359 7.860 1.00 0.42 H new ATOM 0 HB3 ASN A 114 12.307 -3.486 7.031 1.00 0.42 H new ATOM 0 HD21 ASN A 114 13.834 -0.508 9.420 1.00 1.28 H new ATOM 0 HD22 ASN A 114 12.120 -0.580 8.996 1.00 1.28 H new ATOM 1761 N ASN A 115 13.578 -1.265 4.240 1.00 0.34 N ATOM 1762 CA ASN A 115 14.410 -1.596 3.095 1.00 0.39 C ATOM 1763 C ASN A 115 15.862 -1.763 3.495 1.00 0.43 C ATOM 1764 O ASN A 115 16.474 -0.874 4.087 1.00 0.50 O ATOM 1765 CB ASN A 115 14.286 -0.538 2.000 1.00 0.48 C ATOM 1766 CG ASN A 115 12.905 -0.499 1.378 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.246 -1.528 1.234 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.456 0.689 1.007 1.00 0.60 N ATOM 0 H ASN A 115 13.617 -0.287 4.526 1.00 0.34 H new ATOM 0 HA ASN A 115 14.052 -2.547 2.702 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.519 0.441 2.418 1.00 0.48 H new ATOM 0 HB3 ASN A 115 15.024 -0.737 1.223 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.532 0.776 0.584 1.00 0.60 H new ATOM 0 HD22 ASN A 115 13.034 1.518 1.144 1.00 0.60 H new ATOM 1775 N GLU A 116 16.396 -2.916 3.149 1.00 0.42 N ATOM 1776 CA GLU A 116 17.777 -3.268 3.425 1.00 0.50 C ATOM 1777 C GLU A 116 18.336 -3.991 2.214 1.00 0.45 C ATOM 1778 O GLU A 116 17.603 -4.695 1.536 1.00 0.54 O ATOM 1779 CB GLU A 116 17.880 -4.177 4.652 1.00 0.69 C ATOM 1780 CG GLU A 116 17.376 -3.551 5.940 1.00 1.26 C ATOM 1781 CD GLU A 116 17.641 -4.434 7.139 1.00 1.58 C ATOM 1782 OE1 GLU A 116 18.790 -4.436 7.630 1.00 1.97 O ATOM 1783 OE2 GLU A 116 16.717 -5.136 7.591 1.00 1.87 O ATOM 0 H GLU A 116 15.877 -3.646 2.661 1.00 0.42 H new ATOM 0 HA GLU A 116 18.343 -2.359 3.630 1.00 0.50 H new ATOM 0 HB2 GLU A 116 17.316 -5.090 4.461 1.00 0.69 H new ATOM 0 HB3 GLU A 116 18.922 -4.468 4.787 1.00 0.69 H new ATOM 0 HG2 GLU A 116 17.859 -2.585 6.087 1.00 1.26 H new ATOM 0 HG3 GLU A 116 16.306 -3.363 5.857 1.00 1.26 H new ATOM 1790 N TYR A 117 19.617 -3.815 1.937 1.00 0.46 N ATOM 1791 CA TYR A 117 20.238 -4.425 0.772 1.00 0.46 C ATOM 1792 C TYR A 117 20.130 -5.950 0.805 1.00 0.52 C ATOM 1793 O TYR A 117 19.948 -6.554 1.861 1.00 0.60 O ATOM 1794 CB TYR A 117 21.698 -3.993 0.681 1.00 0.48 C ATOM 1795 CG TYR A 117 21.870 -2.495 0.556 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.900 -1.681 1.684 1.00 0.54 C ATOM 1797 CD2 TYR A 117 22.001 -1.889 -0.687 1.00 0.55 C ATOM 1798 CE1 TYR A 117 22.058 -0.315 1.574 1.00 0.59 C ATOM 1799 CE2 TYR A 117 22.159 -0.526 -0.803 1.00 0.61 C ATOM 1800 CZ TYR A 117 22.187 0.255 0.329 1.00 0.60 C ATOM 1801 OH TYR A 117 22.342 1.615 0.212 1.00 0.69 O ATOM 0 H TYR A 117 20.250 -3.252 2.505 1.00 0.46 H new ATOM 0 HA TYR A 117 19.704 -4.083 -0.114 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.229 -4.340 1.567 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.161 -4.478 -0.178 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.798 -2.126 2.663 1.00 0.54 H new ATOM 0 HD2 TYR A 117 21.979 -2.498 -1.579 1.00 0.55 H new ATOM 0 HE1 TYR A 117 22.080 0.303 2.460 1.00 0.59 H new ATOM 0 HE2 TYR A 117 22.260 -0.072 -1.778 1.00 0.61 H new ATOM 0 HH TYR A 117 22.699 1.977 1.050 1.00 0.69 H new ATOM 1811 N THR A 118 20.254 -6.559 -0.362 1.00 0.54 N ATOM 1812 CA THR A 118 20.065 -7.992 -0.512 1.00 0.65 C ATOM 1813 C THR A 118 21.310 -8.746 -0.074 1.00 0.74 C ATOM 1814 O THR A 118 21.252 -9.920 0.302 1.00 0.84 O ATOM 1815 CB THR A 118 19.744 -8.351 -1.979 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.704 -7.734 -2.850 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.345 -7.900 -2.367 1.00 0.77 C ATOM 0 H THR A 118 20.488 -6.076 -1.230 1.00 0.54 H new ATOM 0 HA THR A 118 19.226 -8.283 0.120 1.00 0.65 H new ATOM 0 HB THR A 118 19.793 -9.435 -2.079 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.498 -7.965 -3.780 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.151 -8.168 -3.406 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.614 -8.389 -1.724 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.266 -6.819 -2.250 1.00 0.77 H new ATOM 1825 N GLU A 119 22.433 -8.053 -0.119 1.00 0.78 N ATOM 1826 CA GLU A 119 23.711 -8.650 0.218 1.00 0.92 C ATOM 1827 C GLU A 119 24.186 -8.142 1.568 1.00 0.95 C ATOM 1828 O GLU A 119 24.038 -6.958 1.881 1.00 0.90 O ATOM 1829 CB GLU A 119 24.739 -8.335 -0.869 1.00 1.00 C ATOM 1830 CG GLU A 119 24.282 -8.743 -2.260 1.00 1.29 C ATOM 1831 CD GLU A 119 25.308 -8.444 -3.328 1.00 1.50 C ATOM 1832 OE1 GLU A 119 25.403 -7.276 -3.758 1.00 2.24 O ATOM 1833 OE2 GLU A 119 26.037 -9.369 -3.730 1.00 1.67 O ATOM 0 H GLU A 119 22.485 -7.070 -0.387 1.00 0.78 H new ATOM 0 HA GLU A 119 23.593 -9.732 0.280 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.950 -7.266 -0.862 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.673 -8.846 -0.636 1.00 1.00 H new ATOM 0 HG2 GLU A 119 24.060 -9.810 -2.265 1.00 1.29 H new ATOM 0 HG3 GLU A 119 23.354 -8.223 -2.499 1.00 1.29 H new ATOM 1840 N THR A 120 24.749 -9.047 2.358 1.00 1.07 N ATOM 1841 CA THR A 120 25.217 -8.735 3.701 1.00 1.14 C ATOM 1842 C THR A 120 26.151 -7.530 3.702 1.00 1.12 C ATOM 1843 O THR A 120 25.965 -6.592 4.473 1.00 1.13 O ATOM 1844 CB THR A 120 25.946 -9.949 4.309 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.058 -11.075 4.352 1.00 1.36 O ATOM 1846 CG2 THR A 120 26.458 -9.645 5.710 1.00 1.41 C ATOM 0 H THR A 120 24.894 -10.019 2.085 1.00 1.07 H new ATOM 0 HA THR A 120 24.342 -8.493 4.304 1.00 1.14 H new ATOM 0 HB THR A 120 26.804 -10.179 3.678 1.00 1.31 H new ATOM 0 HG1 THR A 120 25.525 -11.845 4.737 1.00 1.36 H new ATOM 0 HG21 THR A 120 26.967 -10.522 6.110 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.155 -8.808 5.669 1.00 1.41 H new ATOM 0 HG23 THR A 120 25.619 -9.387 6.356 1.00 1.41 H new ATOM 1854 N GLU A 121 27.131 -7.550 2.807 1.00 1.13 N ATOM 1855 CA GLU A 121 28.142 -6.503 2.740 1.00 1.14 C ATOM 1856 C GLU A 121 27.515 -5.127 2.576 1.00 1.03 C ATOM 1857 O GLU A 121 27.938 -4.159 3.213 1.00 1.09 O ATOM 1858 CB GLU A 121 29.086 -6.770 1.583 1.00 1.18 C ATOM 1859 CG GLU A 121 30.349 -5.929 1.625 1.00 1.27 C ATOM 1860 CD GLU A 121 31.373 -6.373 0.607 1.00 1.56 C ATOM 1861 OE1 GLU A 121 32.176 -7.279 0.912 1.00 2.05 O ATOM 1862 OE2 GLU A 121 31.378 -5.816 -0.509 1.00 2.21 O ATOM 0 H GLU A 121 27.247 -8.287 2.112 1.00 1.13 H new ATOM 0 HA GLU A 121 28.694 -6.514 3.680 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.361 -7.825 1.585 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.563 -6.579 0.646 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.093 -4.885 1.446 1.00 1.27 H new ATOM 0 HG3 GLU A 121 30.785 -5.984 2.622 1.00 1.27 H new ATOM 1869 N LEU A 122 26.499 -5.047 1.732 1.00 0.90 N ATOM 1870 CA LEU A 122 25.861 -3.775 1.441 1.00 0.82 C ATOM 1871 C LEU A 122 24.978 -3.329 2.604 1.00 0.82 C ATOM 1872 O LEU A 122 24.741 -2.137 2.789 1.00 0.83 O ATOM 1873 CB LEU A 122 25.049 -3.878 0.154 1.00 0.75 C ATOM 1874 CG LEU A 122 25.854 -4.252 -1.092 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.938 -4.379 -2.295 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.947 -3.225 -1.355 1.00 0.87 C ATOM 0 H LEU A 122 26.100 -5.845 1.238 1.00 0.90 H new ATOM 0 HA LEU A 122 26.637 -3.022 1.304 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.263 -4.620 0.297 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.556 -2.922 -0.024 1.00 0.75 H new ATOM 0 HG LEU A 122 26.330 -5.217 -0.917 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.526 -4.645 -3.173 1.00 0.88 H new ATOM 0 HD12 LEU A 122 24.195 -5.154 -2.107 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.434 -3.429 -2.470 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.507 -3.510 -2.245 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.496 -2.245 -1.509 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.621 -3.184 -0.500 1.00 0.87 H new ATOM 1888 N ARG A 123 24.502 -4.288 3.391 1.00 0.86 N ATOM 1889 CA ARG A 123 23.693 -3.977 4.567 1.00 0.94 C ATOM 1890 C ARG A 123 24.571 -3.419 5.672 1.00 1.11 C ATOM 1891 O ARG A 123 24.217 -2.446 6.339 1.00 1.19 O ATOM 1892 CB ARG A 123 22.977 -5.222 5.083 1.00 0.98 C ATOM 1893 CG ARG A 123 22.011 -5.834 4.096 1.00 0.89 C ATOM 1894 CD ARG A 123 21.298 -7.023 4.708 1.00 1.00 C ATOM 1895 NE ARG A 123 20.467 -6.633 5.848 1.00 1.20 N ATOM 1896 CZ ARG A 123 20.153 -7.448 6.854 1.00 1.56 C ATOM 1897 NH1 ARG A 123 20.646 -8.678 6.896 1.00 1.82 N ATOM 1898 NH2 ARG A 123 19.363 -7.028 7.830 1.00 2.03 N ATOM 0 H ARG A 123 24.661 -5.284 3.238 1.00 0.86 H new ATOM 0 HA ARG A 123 22.949 -3.236 4.274 1.00 0.94 H new ATOM 0 HB2 ARG A 123 23.722 -5.969 5.356 1.00 0.98 H new ATOM 0 HB3 ARG A 123 22.435 -4.965 5.993 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.281 -5.087 3.784 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.548 -6.148 3.201 1.00 0.89 H new ATOM 0 HD2 ARG A 123 20.676 -7.502 3.952 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.033 -7.761 5.030 1.00 1.00 H new ATOM 0 HE ARG A 123 20.106 -5.679 5.874 1.00 1.20 H new ATOM 0 HH11 ARG A 123 21.268 -9.004 6.156 1.00 1.82 H new ATOM 0 HH12 ARG A 123 20.403 -9.299 7.668 1.00 1.82 H new ATOM 0 HH21 ARG A 123 18.993 -6.078 7.813 1.00 2.03 H new ATOM 0 HH22 ARG A 123 19.125 -7.655 8.599 1.00 2.03 H new ATOM 1912 N GLU A 124 25.720 -4.049 5.856 1.00 1.20 N ATOM 1913 CA GLU A 124 26.661 -3.649 6.885 1.00 1.39 C ATOM 1914 C GLU A 124 27.307 -2.315 6.520 1.00 1.37 C ATOM 1915 O GLU A 124 27.674 -1.527 7.398 1.00 1.49 O ATOM 1916 CB GLU A 124 27.747 -4.714 7.050 1.00 1.53 C ATOM 1917 CG GLU A 124 27.219 -6.139 7.157 1.00 1.66 C ATOM 1918 CD GLU A 124 26.376 -6.384 8.389 1.00 2.03 C ATOM 1919 OE1 GLU A 124 26.954 -6.710 9.451 1.00 2.06 O ATOM 1920 OE2 GLU A 124 25.137 -6.283 8.299 1.00 2.84 O ATOM 0 H GLU A 124 26.024 -4.847 5.299 1.00 1.20 H new ATOM 0 HA GLU A 124 26.120 -3.540 7.825 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.429 -4.655 6.202 1.00 1.53 H new ATOM 0 HB3 GLU A 124 28.329 -4.487 7.943 1.00 1.53 H new ATOM 0 HG2 GLU A 124 26.626 -6.365 6.271 1.00 1.66 H new ATOM 0 HG3 GLU A 124 28.062 -6.830 7.161 1.00 1.66 H new ATOM 1927 N ASN A 125 27.433 -2.055 5.223 1.00 1.27 N ATOM 1928 CA ASN A 125 28.077 -0.843 4.749 1.00 1.30 C ATOM 1929 C ASN A 125 27.184 -0.097 3.765 1.00 1.14 C ATOM 1930 O ASN A 125 27.415 -0.151 2.556 1.00 1.10 O ATOM 1931 CB ASN A 125 29.415 -1.172 4.072 1.00 1.45 C ATOM 1932 CG ASN A 125 30.427 -1.792 5.014 1.00 1.58 C ATOM 1933 OD1 ASN A 125 31.207 -1.086 5.654 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.436 -3.115 5.094 1.00 1.62 N ATOM 0 H ASN A 125 27.096 -2.671 4.483 1.00 1.27 H new ATOM 0 HA ASN A 125 28.257 -0.206 5.615 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.236 -1.855 3.242 1.00 1.45 H new ATOM 0 HB3 ASN A 125 29.834 -0.259 3.649 1.00 1.45 H new ATOM 0 HD21 ASN A 125 31.106 -3.585 5.703 1.00 1.62 H new ATOM 0 HD22 ASN A 125 29.773 -3.664 4.547 1.00 1.62 H new ATOM 1941 N PRO A 126 26.127 0.573 4.257 1.00 1.13 N ATOM 1942 CA PRO A 126 25.297 1.444 3.422 1.00 1.06 C ATOM 1943 C PRO A 126 26.109 2.592 2.839 1.00 1.09 C ATOM 1944 O PRO A 126 26.671 3.404 3.578 1.00 1.19 O ATOM 1945 CB PRO A 126 24.237 1.984 4.385 1.00 1.15 C ATOM 1946 CG PRO A 126 24.220 1.017 5.517 1.00 1.23 C ATOM 1947 CD PRO A 126 25.630 0.510 5.641 1.00 1.24 C ATOM 0 HA PRO A 126 24.872 0.910 2.572 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.488 2.988 4.727 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.261 2.046 3.904 1.00 1.15 H new ATOM 0 HG2 PRO A 126 23.895 1.499 6.439 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.526 0.199 5.323 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.224 1.130 6.312 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.661 -0.506 6.035 1.00 1.24 H new ATOM 1955 N PRO A 127 26.211 2.651 1.509 1.00 1.05 N ATOM 1956 CA PRO A 127 26.957 3.694 0.806 1.00 1.13 C ATOM 1957 C PRO A 127 26.193 5.015 0.779 1.00 1.19 C ATOM 1958 O PRO A 127 24.988 5.042 1.042 1.00 1.14 O ATOM 1959 CB PRO A 127 27.124 3.120 -0.613 1.00 1.11 C ATOM 1960 CG PRO A 127 26.638 1.705 -0.530 1.00 1.01 C ATOM 1961 CD PRO A 127 25.627 1.697 0.568 1.00 0.97 C ATOM 0 HA PRO A 127 27.906 3.926 1.289 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.546 3.692 -1.339 1.00 1.11 H new ATOM 0 HB3 PRO A 127 28.165 3.160 -0.933 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.196 1.386 -1.474 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.458 1.020 -0.314 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.643 2.013 0.222 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.508 0.707 1.008 1.00 0.97 H new ATOM 1969 N VAL A 128 26.904 6.102 0.473 1.00 1.34 N ATOM 1970 CA VAL A 128 26.315 7.443 0.430 1.00 1.44 C ATOM 1971 C VAL A 128 25.080 7.489 -0.473 1.00 1.22 C ATOM 1972 O VAL A 128 24.101 8.171 -0.171 1.00 1.28 O ATOM 1973 CB VAL A 128 27.352 8.500 -0.035 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.937 8.144 -1.394 1.00 1.92 C ATOM 1975 CG2 VAL A 128 26.739 9.892 -0.062 1.00 2.16 C ATOM 0 H VAL A 128 27.899 6.079 0.249 1.00 1.34 H new ATOM 0 HA VAL A 128 26.004 7.684 1.446 1.00 1.44 H new ATOM 0 HB VAL A 128 28.166 8.500 0.690 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.659 8.905 -1.690 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.434 7.176 -1.334 1.00 1.92 H new ATOM 0 HG13 VAL A 128 27.137 8.096 -2.133 1.00 1.92 H new ATOM 0 HG21 VAL A 128 27.487 10.613 -0.391 1.00 2.16 H new ATOM 0 HG22 VAL A 128 25.895 9.905 -0.752 1.00 2.16 H new ATOM 0 HG23 VAL A 128 26.395 10.157 0.938 1.00 2.16 H new ATOM 1985 N LYS A 129 25.127 6.758 -1.576 1.00 1.07 N ATOM 1986 CA LYS A 129 23.982 6.641 -2.459 1.00 0.88 C ATOM 1987 C LYS A 129 23.459 5.218 -2.430 1.00 0.76 C ATOM 1988 O LYS A 129 24.142 4.295 -2.875 1.00 0.80 O ATOM 1989 CB LYS A 129 24.355 7.035 -3.890 1.00 1.00 C ATOM 1990 CG LYS A 129 24.651 8.513 -4.059 1.00 1.12 C ATOM 1991 CD LYS A 129 23.427 9.360 -3.753 1.00 1.29 C ATOM 1992 CE LYS A 129 23.700 10.835 -3.979 1.00 1.46 C ATOM 1993 NZ LYS A 129 24.060 11.124 -5.393 1.00 1.96 N ATOM 0 H LYS A 129 25.949 6.236 -1.880 1.00 1.07 H new ATOM 0 HA LYS A 129 23.204 7.320 -2.111 1.00 0.88 H new ATOM 0 HB2 LYS A 129 25.229 6.461 -4.199 1.00 1.00 H new ATOM 0 HB3 LYS A 129 23.539 6.758 -4.558 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.469 8.800 -3.398 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.983 8.705 -5.079 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.597 9.042 -4.383 1.00 1.29 H new ATOM 0 HD3 LYS A 129 23.122 9.200 -2.719 1.00 1.29 H new ATOM 0 HE2 LYS A 129 22.818 11.413 -3.704 1.00 1.46 H new ATOM 0 HE3 LYS A 129 24.510 11.158 -3.325 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 23.974 12.145 -5.571 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 25.040 10.823 -5.570 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 23.419 10.607 -6.027 1.00 1.96 H new ATOM 2007 N PRO A 130 22.256 5.019 -1.875 1.00 0.66 N ATOM 2008 CA PRO A 130 21.623 3.705 -1.791 1.00 0.57 C ATOM 2009 C PRO A 130 21.489 3.033 -3.146 1.00 0.52 C ATOM 2010 O PRO A 130 21.457 3.689 -4.190 1.00 0.64 O ATOM 2011 CB PRO A 130 20.235 3.991 -1.212 1.00 0.55 C ATOM 2012 CG PRO A 130 20.043 5.460 -1.369 1.00 0.64 C ATOM 2013 CD PRO A 130 21.416 6.056 -1.266 1.00 0.71 C ATOM 0 HA PRO A 130 22.219 3.022 -1.185 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.464 3.434 -1.744 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.177 3.696 -0.164 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.584 5.696 -2.329 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.385 5.855 -0.595 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.489 7.003 -1.800 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.698 6.251 -0.231 1.00 0.71 H new ATOM 2021 N ASP A 131 21.400 1.721 -3.114 1.00 0.45 N ATOM 2022 CA ASP A 131 21.283 0.939 -4.328 1.00 0.45 C ATOM 2023 C ASP A 131 19.909 0.308 -4.398 1.00 0.39 C ATOM 2024 O ASP A 131 19.652 -0.708 -3.758 1.00 0.39 O ATOM 2025 CB ASP A 131 22.362 -0.147 -4.395 1.00 0.53 C ATOM 2026 CG ASP A 131 23.763 0.416 -4.524 1.00 0.82 C ATOM 2027 OD1 ASP A 131 24.146 0.816 -5.645 1.00 1.06 O ATOM 2028 OD2 ASP A 131 24.491 0.445 -3.511 1.00 1.28 O ATOM 0 H ASP A 131 21.406 1.170 -2.256 1.00 0.45 H new ATOM 0 HA ASP A 131 21.423 1.606 -5.179 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.305 -0.763 -3.498 1.00 0.53 H new ATOM 0 HB3 ASP A 131 22.160 -0.800 -5.244 1.00 0.53 H new ATOM 2033 N PHE A 132 19.023 0.923 -5.162 1.00 0.38 N ATOM 2034 CA PHE A 132 17.661 0.424 -5.313 1.00 0.35 C ATOM 2035 C PHE A 132 17.678 -0.905 -6.053 1.00 0.37 C ATOM 2036 O PHE A 132 16.806 -1.750 -5.868 1.00 0.38 O ATOM 2037 CB PHE A 132 16.795 1.447 -6.057 1.00 0.38 C ATOM 2038 CG PHE A 132 16.622 2.746 -5.315 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.641 3.685 -5.277 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.435 3.029 -4.656 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.479 4.876 -4.598 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.267 4.220 -3.978 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.312 5.143 -3.940 1.00 0.46 C ATOM 0 H PHE A 132 19.221 1.773 -5.691 1.00 0.38 H new ATOM 0 HA PHE A 132 17.228 0.269 -4.325 1.00 0.35 H new ATOM 0 HB2 PHE A 132 17.243 1.651 -7.029 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.813 1.012 -6.244 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.573 3.482 -5.785 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.631 2.308 -4.673 1.00 0.35 H new ATOM 0 HE1 PHE A 132 18.280 5.601 -4.587 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.333 4.435 -3.481 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.199 6.067 -3.392 1.00 0.46 H new ATOM 2053 N SER A 133 18.704 -1.083 -6.872 1.00 0.42 N ATOM 2054 CA SER A 133 18.904 -2.316 -7.615 1.00 0.47 C ATOM 2055 C SER A 133 19.495 -3.414 -6.722 1.00 0.48 C ATOM 2056 O SER A 133 19.646 -4.560 -7.147 1.00 0.62 O ATOM 2057 CB SER A 133 19.830 -2.043 -8.800 1.00 0.54 C ATOM 2058 OG SER A 133 19.414 -0.882 -9.508 1.00 1.46 O ATOM 0 H SER A 133 19.420 -0.376 -7.039 1.00 0.42 H new ATOM 0 HA SER A 133 17.937 -2.668 -7.975 1.00 0.47 H new ATOM 0 HB2 SER A 133 20.852 -1.912 -8.446 1.00 0.54 H new ATOM 0 HB3 SER A 133 19.833 -2.902 -9.471 1.00 0.54 H new ATOM 0 HG SER A 133 20.020 -0.724 -10.262 1.00 1.46 H new ATOM 2064 N LYS A 134 19.819 -3.059 -5.481 1.00 0.40 N ATOM 2065 CA LYS A 134 20.382 -4.007 -4.526 1.00 0.43 C ATOM 2066 C LYS A 134 19.574 -3.991 -3.254 1.00 0.39 C ATOM 2067 O LYS A 134 19.962 -4.579 -2.251 1.00 0.46 O ATOM 2068 CB LYS A 134 21.833 -3.661 -4.191 1.00 0.48 C ATOM 2069 CG LYS A 134 22.834 -4.075 -5.257 1.00 0.65 C ATOM 2070 CD LYS A 134 22.819 -5.579 -5.492 1.00 0.78 C ATOM 2071 CE LYS A 134 23.905 -6.003 -6.469 1.00 1.00 C ATOM 2072 NZ LYS A 134 25.266 -5.734 -5.935 1.00 1.87 N ATOM 0 H LYS A 134 19.700 -2.115 -5.113 1.00 0.40 H new ATOM 0 HA LYS A 134 20.352 -4.997 -4.982 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.911 -2.585 -4.033 1.00 0.48 H new ATOM 0 HB3 LYS A 134 22.101 -4.141 -3.250 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.606 -3.559 -6.190 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.835 -3.764 -4.957 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.959 -6.098 -4.544 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.844 -5.878 -5.878 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.804 -7.066 -6.686 1.00 1.00 H new ATOM 0 HE3 LYS A 134 23.773 -5.472 -7.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 25.964 -6.295 -6.465 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 25.485 -4.723 -6.037 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 25.302 -5.996 -4.929 1.00 1.87 H new ATOM 2086 N LEU A 135 18.451 -3.309 -3.300 1.00 0.41 N ATOM 2087 CA LEU A 135 17.652 -3.101 -2.118 1.00 0.40 C ATOM 2088 C LEU A 135 16.551 -4.145 -2.038 1.00 0.41 C ATOM 2089 O LEU A 135 15.807 -4.349 -2.994 1.00 0.46 O ATOM 2090 CB LEU A 135 17.066 -1.692 -2.137 1.00 0.41 C ATOM 2091 CG LEU A 135 16.539 -1.187 -0.807 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.671 -1.106 0.210 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.882 0.169 -0.997 1.00 0.74 C ATOM 0 H LEU A 135 18.071 -2.888 -4.148 1.00 0.41 H new ATOM 0 HA LEU A 135 18.281 -3.205 -1.234 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.833 -1.003 -2.490 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.254 -1.664 -2.864 1.00 0.41 H new ATOM 0 HG LEU A 135 15.792 -1.884 -0.427 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.281 -0.742 1.161 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.105 -2.096 0.351 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.438 -0.422 -0.153 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.505 0.528 -0.039 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.614 0.876 -1.387 1.00 0.74 H new ATOM 0 HD23 LEU A 135 15.055 0.077 -1.701 1.00 0.74 H new ATOM 2105 N GLN A 136 16.474 -4.817 -0.907 1.00 0.40 N ATOM 2106 CA GLN A 136 15.455 -5.820 -0.677 1.00 0.41 C ATOM 2107 C GLN A 136 14.327 -5.214 0.136 1.00 0.38 C ATOM 2108 O GLN A 136 14.516 -4.813 1.287 1.00 0.44 O ATOM 2109 CB GLN A 136 16.039 -7.028 0.053 1.00 0.46 C ATOM 2110 CG GLN A 136 15.118 -8.229 0.049 1.00 0.58 C ATOM 2111 CD GLN A 136 15.655 -9.383 0.865 1.00 0.79 C ATOM 2112 OE1 GLN A 136 16.372 -10.240 0.355 1.00 1.63 O ATOM 2113 NE2 GLN A 136 15.308 -9.413 2.139 1.00 0.72 N ATOM 0 H GLN A 136 17.114 -4.684 -0.124 1.00 0.40 H new ATOM 0 HA GLN A 136 15.070 -6.159 -1.639 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.986 -7.303 -0.412 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.259 -6.750 1.084 1.00 0.46 H new ATOM 0 HG2 GLN A 136 14.144 -7.935 0.441 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.962 -8.558 -0.978 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.710 -8.681 2.522 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.638 -10.169 2.740 1.00 0.72 H new ATOM 2122 N ARG A 137 13.161 -5.136 -0.466 1.00 0.36 N ATOM 2123 CA ARG A 137 12.022 -4.539 0.185 1.00 0.35 C ATOM 2124 C ARG A 137 11.373 -5.537 1.134 1.00 0.35 C ATOM 2125 O ARG A 137 10.724 -6.495 0.705 1.00 0.39 O ATOM 2126 CB ARG A 137 11.019 -4.057 -0.860 1.00 0.43 C ATOM 2127 CG ARG A 137 9.857 -3.292 -0.263 1.00 1.02 C ATOM 2128 CD ARG A 137 9.034 -2.601 -1.332 1.00 1.29 C ATOM 2129 NE ARG A 137 8.324 -3.549 -2.184 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.298 -3.470 -3.512 1.00 1.85 C ATOM 2131 NH1 ARG A 137 9.042 -2.567 -4.141 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.544 -4.304 -4.214 1.00 2.05 N ATOM 0 H ARG A 137 12.979 -5.481 -1.409 1.00 0.36 H new ATOM 0 HA ARG A 137 12.356 -3.681 0.769 1.00 0.35 H new ATOM 0 HB2 ARG A 137 11.533 -3.421 -1.581 1.00 0.43 H new ATOM 0 HB3 ARG A 137 10.636 -4.917 -1.410 1.00 0.43 H new ATOM 0 HG2 ARG A 137 9.222 -3.976 0.300 1.00 1.02 H new ATOM 0 HG3 ARG A 137 10.233 -2.551 0.443 1.00 1.02 H new ATOM 0 HD2 ARG A 137 8.315 -1.933 -0.858 1.00 1.29 H new ATOM 0 HD3 ARG A 137 9.687 -1.982 -1.947 1.00 1.29 H new ATOM 0 HE ARG A 137 7.820 -4.315 -1.737 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.635 -1.932 -3.606 1.00 2.82 H new ATOM 0 HH12 ARG A 137 9.021 -2.508 -5.159 1.00 2.82 H new ATOM 0 HH21 ARG A 137 6.982 -5.008 -3.736 1.00 2.05 H new ATOM 0 HH22 ARG A 137 7.526 -4.241 -5.232 1.00 2.05 H new ATOM 2146 N ASN A 138 11.577 -5.321 2.424 1.00 0.35 N ATOM 2147 CA ASN A 138 10.998 -6.175 3.445 1.00 0.39 C ATOM 2148 C ASN A 138 9.813 -5.476 4.080 1.00 0.39 C ATOM 2149 O ASN A 138 9.963 -4.585 4.917 1.00 0.49 O ATOM 2150 CB ASN A 138 12.053 -6.528 4.500 1.00 0.45 C ATOM 2151 CG ASN A 138 11.518 -7.425 5.600 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.548 -8.646 5.487 1.00 0.84 O ATOM 2153 ND2 ASN A 138 11.048 -6.826 6.681 1.00 0.67 N ATOM 0 H ASN A 138 12.144 -4.555 2.789 1.00 0.35 H new ATOM 0 HA ASN A 138 10.653 -7.102 2.988 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.894 -7.022 4.013 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.437 -5.609 4.943 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.693 -7.382 7.459 1.00 0.67 H new ATOM 0 HD22 ASN A 138 11.040 -5.808 6.737 1.00 0.67 H new ATOM 2160 N ILE A 139 8.635 -5.869 3.646 1.00 0.37 N ATOM 2161 CA ILE A 139 7.409 -5.245 4.094 1.00 0.36 C ATOM 2162 C ILE A 139 6.964 -5.863 5.407 1.00 0.37 C ATOM 2163 O ILE A 139 6.703 -7.065 5.477 1.00 0.46 O ATOM 2164 CB ILE A 139 6.300 -5.408 3.038 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.849 -5.031 1.646 1.00 0.42 C ATOM 2166 CG2 ILE A 139 5.075 -4.577 3.413 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.799 -4.981 0.556 1.00 0.48 C ATOM 0 H ILE A 139 8.500 -6.626 2.976 1.00 0.37 H new ATOM 0 HA ILE A 139 7.596 -4.181 4.241 1.00 0.36 H new ATOM 0 HB ILE A 139 5.981 -6.450 3.004 1.00 0.39 H new ATOM 0 HG12 ILE A 139 7.335 -4.058 1.711 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.616 -5.752 1.363 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.302 -4.705 2.655 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.694 -4.907 4.379 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.353 -3.525 3.473 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.269 -4.709 -0.389 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.328 -5.959 0.459 1.00 0.48 H new ATOM 0 HD13 ILE A 139 5.043 -4.239 0.813 1.00 0.48 H new ATOM 2179 N LEU A 140 6.883 -5.045 6.446 1.00 0.35 N ATOM 2180 CA LEU A 140 6.525 -5.536 7.763 1.00 0.39 C ATOM 2181 C LEU A 140 5.023 -5.742 7.857 1.00 0.36 C ATOM 2182 O LEU A 140 4.280 -4.831 8.220 1.00 0.37 O ATOM 2183 CB LEU A 140 7.001 -4.576 8.856 1.00 0.47 C ATOM 2184 CG LEU A 140 8.519 -4.389 8.937 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.870 -3.284 9.921 1.00 0.88 C ATOM 2186 CD2 LEU A 140 9.193 -5.694 9.337 1.00 0.99 C ATOM 0 H LEU A 140 7.060 -4.042 6.400 1.00 0.35 H new ATOM 0 HA LEU A 140 7.022 -6.494 7.915 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.538 -3.603 8.691 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.643 -4.940 9.819 1.00 0.47 H new ATOM 0 HG LEU A 140 8.884 -4.098 7.952 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.953 -3.166 9.965 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.416 -2.348 9.595 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.493 -3.544 10.910 1.00 0.88 H new ATOM 0 HD21 LEU A 140 10.271 -5.545 9.390 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.822 -6.011 10.311 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.969 -6.461 8.596 1.00 0.99 H new ATOM 2198 N ALA A 141 4.584 -6.942 7.506 1.00 0.39 N ATOM 2199 CA ALA A 141 3.174 -7.291 7.575 1.00 0.42 C ATOM 2200 C ALA A 141 2.748 -7.458 9.027 1.00 0.49 C ATOM 2201 O ALA A 141 1.560 -7.416 9.351 1.00 0.55 O ATOM 2202 CB ALA A 141 2.900 -8.567 6.795 1.00 0.48 C ATOM 0 H ALA A 141 5.187 -7.692 7.169 1.00 0.39 H new ATOM 0 HA ALA A 141 2.594 -6.484 7.127 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.840 -8.812 6.859 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.177 -8.422 5.751 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.487 -9.384 7.216 1.00 0.48 H new ATOM 2208 N SER A 142 3.737 -7.652 9.897 1.00 0.52 N ATOM 2209 CA SER A 142 3.500 -7.792 11.327 1.00 0.62 C ATOM 2210 C SER A 142 3.209 -6.426 11.949 1.00 0.61 C ATOM 2211 O SER A 142 2.803 -6.330 13.109 1.00 0.70 O ATOM 2212 CB SER A 142 4.715 -8.443 11.998 1.00 0.72 C ATOM 2213 OG SER A 142 4.421 -8.869 13.320 1.00 1.42 O ATOM 0 H SER A 142 4.719 -7.716 9.630 1.00 0.52 H new ATOM 0 HA SER A 142 2.632 -8.433 11.483 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.044 -9.297 11.405 1.00 0.72 H new ATOM 0 HB3 SER A 142 5.542 -7.733 12.020 1.00 0.72 H new ATOM 0 HG SER A 142 3.702 -8.315 13.690 1.00 1.42 H new ATOM 2219 N ASN A 143 3.410 -5.371 11.168 1.00 0.56 N ATOM 2220 CA ASN A 143 3.084 -4.019 11.600 1.00 0.60 C ATOM 2221 C ASN A 143 1.996 -3.452 10.688 1.00 0.49 C ATOM 2222 O ASN A 143 2.277 -2.671 9.777 1.00 0.49 O ATOM 2223 CB ASN A 143 4.335 -3.127 11.570 1.00 0.74 C ATOM 2224 CG ASN A 143 4.144 -1.786 12.266 1.00 1.25 C ATOM 2225 OD1 ASN A 143 3.042 -1.238 12.328 1.00 1.87 O ATOM 2226 ND2 ASN A 143 5.228 -1.241 12.800 1.00 1.91 N ATOM 0 H ASN A 143 3.800 -5.428 10.227 1.00 0.56 H new ATOM 0 HA ASN A 143 2.717 -4.045 12.626 1.00 0.60 H new ATOM 0 HB2 ASN A 143 5.161 -3.658 12.043 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.621 -2.951 10.533 1.00 0.74 H new ATOM 0 HD21 ASN A 143 5.164 -0.343 13.279 1.00 1.91 H new ATOM 0 HD22 ASN A 143 6.126 -1.720 12.732 1.00 1.91 H new ATOM 2233 N PRO A 144 0.742 -3.889 10.887 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.378 -3.485 10.066 1.00 0.43 C ATOM 2235 C PRO A 144 -1.128 -2.299 10.657 1.00 0.39 C ATOM 2236 O PRO A 144 -1.846 -2.428 11.651 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.268 -4.737 10.066 1.00 0.52 C ATOM 2238 CG PRO A 144 -0.806 -5.580 11.224 1.00 0.66 C ATOM 2239 CD PRO A 144 0.302 -4.826 11.917 1.00 0.60 C ATOM 0 HA PRO A 144 -0.069 -3.157 9.073 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.319 -4.468 10.175 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.174 -5.281 9.126 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -1.629 -5.771 11.912 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.451 -6.550 10.875 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.055 -4.310 12.809 1.00 0.60 H new ATOM 0 HD3 PRO A 144 1.108 -5.489 12.233 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.948 -1.142 10.053 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.660 0.051 10.471 1.00 0.33 C ATOM 2249 C ARG A 145 -2.993 0.161 9.754 1.00 0.30 C ATOM 2250 O ARG A 145 -3.103 0.804 8.713 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.817 1.300 10.223 1.00 0.41 C ATOM 2252 CG ARG A 145 0.023 1.700 11.420 1.00 0.98 C ATOM 2253 CD ARG A 145 -0.846 1.926 12.646 1.00 1.21 C ATOM 2254 NE ARG A 145 -0.058 2.283 13.822 1.00 1.63 N ATOM 2255 CZ ARG A 145 -0.270 1.787 15.039 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -1.230 0.891 15.244 1.00 3.00 N ATOM 2257 NH2 ARG A 145 0.481 2.190 16.054 1.00 3.15 N ATOM 0 H ARG A 145 -0.312 -1.001 9.268 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.851 -0.028 11.541 1.00 0.33 H new ATOM 0 HB2 ARG A 145 -0.162 1.125 9.370 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -1.474 2.127 9.956 1.00 0.41 H new ATOM 0 HG2 ARG A 145 0.757 0.922 11.629 1.00 0.98 H new ATOM 0 HG3 ARG A 145 0.578 2.610 11.191 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -1.565 2.718 12.438 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -1.419 1.022 12.855 1.00 1.21 H new ATOM 0 HE ARG A 145 0.701 2.954 13.704 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -1.811 0.579 14.466 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -1.386 0.516 16.180 1.00 3.00 H new ATOM 0 HH21 ARG A 145 1.218 2.878 15.901 1.00 3.15 H new ATOM 0 HH22 ARG A 145 0.322 1.812 16.988 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.999 -0.498 10.298 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.332 -0.430 9.737 1.00 0.39 C ATOM 2273 C VAL A 146 -6.101 0.731 10.365 1.00 0.40 C ATOM 2274 O VAL A 146 -6.527 0.667 11.519 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.095 -1.767 9.911 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -6.026 -2.251 11.349 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -7.540 -1.634 9.449 1.00 1.11 C ATOM 0 H VAL A 146 -3.917 -1.086 11.127 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.243 -0.253 8.665 1.00 0.39 H new ATOM 0 HB VAL A 146 -5.609 -2.514 9.283 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -6.570 -3.191 11.443 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -4.985 -2.404 11.632 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -6.474 -1.505 12.006 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -8.054 -2.586 9.582 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -8.041 -0.866 10.038 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -7.561 -1.354 8.396 1.00 1.11 H new ATOM 2287 N THR A 147 -6.242 1.804 9.609 1.00 0.40 N ATOM 2288 CA THR A 147 -6.920 2.992 10.098 1.00 0.42 C ATOM 2289 C THR A 147 -8.084 3.347 9.200 1.00 0.35 C ATOM 2290 O THR A 147 -7.896 3.795 8.069 1.00 0.33 O ATOM 2291 CB THR A 147 -5.955 4.188 10.177 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.734 3.786 10.811 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.574 5.341 10.954 1.00 0.52 C ATOM 0 H THR A 147 -5.896 1.878 8.652 1.00 0.40 H new ATOM 0 HA THR A 147 -7.289 2.771 11.099 1.00 0.42 H new ATOM 0 HB THR A 147 -5.750 4.526 9.161 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.519 4.413 11.533 1.00 0.56 H new ATOM 0 HG21 THR A 147 -5.870 6.172 10.994 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.489 5.664 10.458 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.807 5.014 11.967 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.284 3.133 9.697 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.467 3.473 8.942 1.00 0.34 C ATOM 2303 C ARG A 148 -10.940 4.876 9.281 1.00 0.37 C ATOM 2304 O ARG A 148 -10.707 5.387 10.380 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.598 2.473 9.180 1.00 0.42 C ATOM 2306 CG ARG A 148 -12.005 2.342 10.636 1.00 0.57 C ATOM 2307 CD ARG A 148 -13.386 1.729 10.767 1.00 0.88 C ATOM 2308 NE ARG A 148 -14.417 2.600 10.200 1.00 1.48 N ATOM 2309 CZ ARG A 148 -15.715 2.494 10.476 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -16.143 1.538 11.287 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -16.584 3.342 9.938 1.00 3.00 N ATOM 0 H ARG A 148 -9.464 2.727 10.615 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.195 3.433 7.887 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.467 2.776 8.596 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -11.290 1.495 8.809 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -11.279 1.725 11.165 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -11.994 3.324 11.109 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.406 0.764 10.261 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -13.604 1.543 11.819 1.00 0.88 H new ATOM 0 HE ARG A 148 -14.123 3.333 9.554 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -15.478 0.884 11.700 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -17.137 1.456 11.499 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -16.258 4.077 9.311 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -17.578 3.258 10.152 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.608 5.477 8.325 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.123 6.827 8.454 1.00 0.36 C ATOM 2327 C PHE A 149 -13.647 6.808 8.515 1.00 0.38 C ATOM 2328 O PHE A 149 -14.279 5.779 8.253 1.00 0.46 O ATOM 2329 CB PHE A 149 -11.672 7.675 7.262 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.193 7.624 7.006 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.308 8.336 7.800 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -9.691 6.862 5.965 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -7.948 8.286 7.556 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.338 6.809 5.717 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.463 7.521 6.512 1.00 0.40 C ATOM 0 H PHE A 149 -11.813 5.042 7.426 1.00 0.33 H new ATOM 0 HA PHE A 149 -11.734 7.260 9.375 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.198 7.338 6.369 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -11.966 8.711 7.433 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -9.684 8.935 8.616 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.370 6.302 5.339 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.266 8.844 8.180 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -7.961 6.211 4.901 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.401 7.481 6.319 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.228 7.941 8.865 1.00 0.47 N ATOM 2346 CA HIS A 150 -15.673 8.099 8.866 1.00 0.51 C ATOM 2347 C HIS A 150 -16.113 8.869 7.624 1.00 0.52 C ATOM 2348 O HIS A 150 -15.830 10.059 7.490 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.124 8.832 10.138 1.00 0.64 C ATOM 2350 CG HIS A 150 -17.558 9.274 10.116 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -17.932 10.599 10.049 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -18.710 8.564 10.154 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -19.249 10.685 10.051 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -19.744 9.464 10.111 1.00 2.73 N ATOM 0 H HIS A 150 -13.716 8.774 9.155 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.138 7.113 8.851 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -15.970 8.177 10.996 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -15.488 9.705 10.286 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.798 7.489 10.208 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -19.823 11.599 10.010 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -20.736 9.227 10.123 1.00 2.73 H new ATOM 2363 N ILE A 151 -16.791 8.188 6.710 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.285 8.834 5.503 1.00 0.50 C ATOM 2365 C ILE A 151 -18.768 8.575 5.322 1.00 0.49 C ATOM 2366 O ILE A 151 -19.398 7.909 6.144 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.560 8.355 4.225 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.920 6.902 3.909 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.056 8.515 4.369 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.594 6.500 2.486 1.00 0.64 C ATOM 0 H ILE A 151 -17.010 7.194 6.781 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.090 9.898 5.638 1.00 0.50 H new ATOM 0 HB ILE A 151 -16.892 8.976 3.393 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.386 6.245 4.596 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -17.985 6.752 4.087 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.565 8.172 3.458 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -14.816 9.565 4.537 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.706 7.923 5.215 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.874 5.458 2.329 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.148 7.133 1.793 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.525 6.619 2.310 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.309 9.105 4.242 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.671 8.818 3.843 1.00 0.51 C ATOM 2384 C ASN A 152 -20.654 8.142 2.476 1.00 0.49 C ATOM 2385 O ASN A 152 -20.192 8.709 1.485 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.532 10.092 3.842 1.00 0.62 C ATOM 2387 CG ASN A 152 -20.962 11.211 2.988 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -20.072 11.945 3.421 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.491 11.374 1.788 1.00 1.33 N ATOM 0 H ASN A 152 -18.817 9.745 3.619 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.126 8.140 4.565 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -22.531 9.845 3.483 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -21.641 10.448 4.867 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.164 12.129 1.185 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -22.226 10.745 1.465 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.129 6.908 2.453 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.064 6.062 1.267 1.00 0.59 C ATOM 2398 C TRP A 153 -22.099 6.493 0.239 1.00 0.72 C ATOM 2399 O TRP A 153 -22.028 6.129 -0.931 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.274 4.600 1.666 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.221 4.091 2.608 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.957 4.549 3.870 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.289 3.031 2.367 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.912 3.849 4.419 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.490 2.905 3.520 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -19.052 2.173 1.287 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.472 1.959 3.620 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -18.044 1.236 1.390 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.267 1.133 2.548 1.00 0.53 C ATOM 0 H TRP A 153 -21.572 6.461 3.256 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.079 6.167 0.812 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.253 4.494 2.133 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.280 3.982 0.768 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.494 5.346 4.363 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.514 4.006 5.345 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.647 2.243 0.389 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.867 1.880 4.511 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.852 0.570 0.561 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.489 0.386 2.598 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.064 7.259 0.699 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.034 7.892 -0.165 1.00 0.99 C ATOM 2422 C GLU A 154 -24.128 9.341 0.244 1.00 0.96 C ATOM 2423 O GLU A 154 -23.631 9.706 1.310 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.388 7.202 -0.047 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.923 7.142 1.369 1.00 1.48 C ATOM 2426 CD GLU A 154 -27.097 6.202 1.491 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -28.236 6.638 1.233 1.00 2.32 O ATOM 2428 OE2 GLU A 154 -26.891 5.027 1.852 1.00 2.07 O ATOM 0 H GLU A 154 -23.198 7.461 1.690 1.00 0.80 H new ATOM 0 HA GLU A 154 -23.726 7.815 -1.208 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -26.108 7.726 -0.676 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -25.303 6.188 -0.437 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -25.129 6.820 2.043 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -26.224 8.141 1.685 1.00 1.48 H new ATOM 2435 N ASP A 155 -24.743 10.177 -0.563 1.00 0.99 N ATOM 2436 CA ASP A 155 -24.847 11.574 -0.198 1.00 1.07 C ATOM 2437 C ASP A 155 -26.064 11.785 0.696 1.00 1.02 C ATOM 2438 O ASP A 155 -27.055 12.406 0.304 1.00 1.15 O ATOM 2439 CB ASP A 155 -24.917 12.444 -1.448 1.00 1.41 C ATOM 2440 CG ASP A 155 -24.731 13.917 -1.148 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -23.601 14.322 -0.803 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -25.718 14.676 -1.238 1.00 1.86 O ATOM 0 H ASP A 155 -25.169 9.924 -1.455 1.00 0.99 H new ATOM 0 HA ASP A 155 -23.959 11.868 0.361 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -24.151 12.122 -2.153 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -25.881 12.296 -1.935 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.966 11.240 1.901 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.990 11.376 2.928 1.00 1.31 C ATOM 2449 C ASN A 156 -26.328 11.347 4.299 1.00 1.59 C ATOM 2450 O ASN A 156 -25.880 12.414 4.761 1.00 2.09 O ATOM 2451 CB ASN A 156 -28.032 10.246 2.850 1.00 1.55 C ATOM 2452 CG ASN A 156 -28.921 10.315 1.619 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -29.916 11.041 1.601 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -28.601 9.530 0.600 1.00 2.27 N ATOM 2455 OXT ASN A 156 -26.235 10.252 4.892 1.00 2.05 O ATOM 0 H ASN A 156 -25.163 10.684 2.196 1.00 1.06 H new ATOM 0 HA ASN A 156 -27.505 12.323 2.766 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -27.515 9.286 2.860 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -28.658 10.280 3.741 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -29.187 9.514 -0.235 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -27.769 8.942 0.651 1.00 2.27 H new TER 2462 ASN A 156