USER MOD reduce.3.24.130724 H: found=0, std=0, add=1206, rem=0, adj=33 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= -0.462 X(o=0.98,f=0.58) USER MOD Set 1.2: A 152 ASN : amide:sc= 1.44 K(o=0.98,f=-0.71) USER MOD Set 2.1: A 41 LYS NZ :NH3+ -105:sc= 1.11 (180deg=0.078) USER MOD Set 2.2: A 100 THR OG1 : rot 120:sc= -0.133 USER MOD Set 3.1: A 30 CYS SG : rot -110:sc= -2.04 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.24 K(o=-2.3,f=-4.5!) USER MOD Set 4.1: A 44 TYR OH : rot 150:sc= 1.29 USER MOD Set 4.2: A 93 THR OG1 : rot 132:sc= 1.24 USER MOD Set 4.3: A 115 ASN : amide:sc= -0.702 K(o=1.8,f=-0.069!) USER MOD Set 5.1: A 14 ASN : amide:sc= -0.478 X(o=-1.3,f=-1.4) USER MOD Set 5.2: A 138 ASN : amide:sc= -0.865 X(o=-1.3,f=-1.1) USER MOD Set 6.1: A 8 ASN : amide:sc= 0.585 X(o=0.84,f=0.85) USER MOD Set 6.2: A 27 THR OG1 : rot -170:sc= 0.253 USER MOD Single : A 1 MET CE :methyl -131:sc= -3.67! (180deg=-5.43!) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.146 (180deg=-0.156) USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 1.84 (180deg=1.43) USER MOD Single : A 5 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.26) USER MOD Single : A 7 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 16 SER OG : rot 96:sc= 1.23 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.79! C(o=-1.8!,f=-7.7!) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.41 F(o=-5.8!,f=-1.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 153:sc= -0.0403 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= -1.17 K(o=-1.2,f=-3.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 160:sc= -0.197 (180deg=-0.853) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0106 F(o=-1.3!,f=-0.011) USER MOD Single : A 80 ASN : amide:sc= -1.79! C(o=-1.8!,f=-9.4!) USER MOD Single : A 98 THR OG1 : rot 121:sc= 1.3 USER MOD Single : A 99 CYS SG : rot -118:sc= 1.26 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 15:sc= -0.679 USER MOD Single : A 112 TYR OH : rot 30:sc= -0.401 USER MOD Single : A 114 ASN : amide:sc= 0.327 K(o=0.33,f=-0.82) USER MOD Single : A 117 TYR OH : rot 180:sc= -2.67! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 125 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.4) USER MOD Single : A 129 LYS NZ :NH3+ 144:sc= 1.19 (180deg=0.316) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 134 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.03) USER MOD Single : A 136 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.66) USER MOD Single : A 142 SER OG : rot -37:sc= 0.103 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 THR OG1 : rot -105:sc= 0.949 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 156 ASN :FLIP amide:sc= 0 F(o=-2.8!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.630 0.712 8.124 1.00 2.96 N ATOM 2 CA MET A 1 -23.801 1.576 6.932 1.00 2.49 C ATOM 3 C MET A 1 -22.671 1.353 5.930 1.00 1.61 C ATOM 4 O MET A 1 -22.672 1.936 4.849 1.00 2.04 O ATOM 5 CB MET A 1 -23.835 3.058 7.336 1.00 2.65 C ATOM 6 CG MET A 1 -22.522 3.569 7.912 1.00 2.26 C ATOM 7 SD MET A 1 -22.563 5.332 8.298 1.00 2.63 S ATOM 8 CE MET A 1 -22.816 6.034 6.670 1.00 2.46 C ATOM 0 H1 MET A 1 -24.391 0.906 8.805 1.00 2.96 H new ATOM 0 H2 MET A 1 -23.668 -0.287 7.837 1.00 2.96 H new ATOM 0 H3 MET A 1 -22.710 0.910 8.567 1.00 2.96 H new ATOM 0 HA MET A 1 -24.749 1.308 6.465 1.00 2.49 H new ATOM 0 HB2 MET A 1 -24.095 3.657 6.463 1.00 2.65 H new ATOM 0 HB3 MET A 1 -24.626 3.206 8.072 1.00 2.65 H new ATOM 0 HG2 MET A 1 -22.286 3.009 8.817 1.00 2.26 H new ATOM 0 HG3 MET A 1 -21.719 3.377 7.200 1.00 2.26 H new ATOM 0 HE1 MET A 1 -22.097 6.836 6.504 1.00 2.46 H new ATOM 0 HE2 MET A 1 -22.678 5.260 5.915 1.00 2.46 H new ATOM 0 HE3 MET A 1 -23.828 6.434 6.599 1.00 2.46 H new ATOM 18 N ALA A 2 -21.706 0.510 6.284 1.00 0.91 N ATOM 19 CA ALA A 2 -20.561 0.270 5.420 1.00 0.66 C ATOM 20 C ALA A 2 -20.947 -0.598 4.231 1.00 0.57 C ATOM 21 O ALA A 2 -21.672 -1.579 4.375 1.00 0.68 O ATOM 22 CB ALA A 2 -19.429 -0.377 6.206 1.00 1.48 C ATOM 0 H ALA A 2 -21.696 -0.015 7.159 1.00 0.91 H new ATOM 0 HA ALA A 2 -20.217 1.231 5.039 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -18.580 -0.550 5.545 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -19.127 0.283 7.019 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -19.768 -1.328 6.617 1.00 1.48 H new ATOM 28 N LYS A 3 -20.481 -0.219 3.048 1.00 0.46 N ATOM 29 CA LYS A 3 -20.743 -1.004 1.849 1.00 0.45 C ATOM 30 C LYS A 3 -19.683 -2.087 1.705 1.00 0.35 C ATOM 31 O LYS A 3 -19.954 -3.174 1.208 1.00 0.36 O ATOM 32 CB LYS A 3 -20.727 -0.130 0.587 1.00 0.54 C ATOM 33 CG LYS A 3 -21.414 1.227 0.708 1.00 0.82 C ATOM 34 CD LYS A 3 -22.932 1.145 0.724 1.00 0.81 C ATOM 35 CE LYS A 3 -23.462 0.745 2.079 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.873 1.162 2.267 1.00 0.98 N ATOM 0 H LYS A 3 -19.924 0.621 2.893 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.733 -1.447 1.954 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -19.690 0.034 0.295 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.202 -0.685 -0.222 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -21.076 1.715 1.622 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -21.102 1.858 -0.124 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -23.350 2.111 0.442 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -23.264 0.424 -0.023 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.385 -0.336 2.194 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -22.844 1.193 2.857 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.215 0.824 3.189 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.936 2.200 2.233 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.459 0.755 1.510 1.00 0.98 H new ATOM 50 N VAL A 4 -18.475 -1.769 2.152 1.00 0.32 N ATOM 51 CA VAL A 4 -17.330 -2.663 2.032 1.00 0.29 C ATOM 52 C VAL A 4 -16.543 -2.692 3.336 1.00 0.33 C ATOM 53 O VAL A 4 -16.260 -1.646 3.920 1.00 0.45 O ATOM 54 CB VAL A 4 -16.397 -2.225 0.871 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.981 -2.748 1.068 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.941 -2.705 -0.465 1.00 0.27 C ATOM 0 H VAL A 4 -18.261 -0.882 2.609 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.708 -3.662 1.815 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.364 -1.136 0.873 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.354 -2.423 0.237 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.576 -2.359 2.002 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.997 -3.837 1.106 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.272 -2.388 -1.265 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -17.010 -3.793 -0.460 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.931 -2.279 -0.629 1.00 0.27 H new ATOM 66 N GLN A 5 -16.211 -3.888 3.796 1.00 0.30 N ATOM 67 CA GLN A 5 -15.382 -4.037 4.977 1.00 0.34 C ATOM 68 C GLN A 5 -14.228 -4.991 4.677 1.00 0.31 C ATOM 69 O GLN A 5 -14.440 -6.177 4.429 1.00 0.32 O ATOM 70 CB GLN A 5 -16.224 -4.560 6.146 1.00 0.41 C ATOM 71 CG GLN A 5 -15.754 -4.101 7.524 1.00 0.72 C ATOM 72 CD GLN A 5 -14.340 -4.533 7.862 1.00 0.81 C ATOM 73 OE1 GLN A 5 -14.121 -5.629 8.373 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.377 -3.659 7.613 1.00 1.39 N ATOM 0 H GLN A 5 -16.503 -4.767 3.369 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.971 -3.066 5.256 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -17.257 -4.241 6.004 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.221 -5.650 6.120 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -15.814 -3.014 7.575 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -16.435 -4.494 8.279 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.602 -2.760 7.187 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.410 -3.885 7.847 1.00 1.39 H new ATOM 83 N VAL A 6 -13.013 -4.462 4.660 1.00 0.32 N ATOM 84 CA VAL A 6 -11.828 -5.284 4.447 1.00 0.34 C ATOM 85 C VAL A 6 -11.551 -6.133 5.681 1.00 0.38 C ATOM 86 O VAL A 6 -11.343 -5.610 6.775 1.00 0.60 O ATOM 87 CB VAL A 6 -10.589 -4.423 4.116 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.358 -5.295 3.905 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.848 -3.564 2.887 1.00 1.32 C ATOM 0 H VAL A 6 -12.821 -3.469 4.791 1.00 0.32 H new ATOM 0 HA VAL A 6 -12.025 -5.933 3.593 1.00 0.34 H new ATOM 0 HB VAL A 6 -10.398 -3.767 4.965 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.500 -4.664 3.673 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -9.155 -5.864 4.812 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.536 -5.982 3.078 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.964 -2.964 2.669 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -11.070 -4.206 2.035 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.696 -2.905 3.076 1.00 1.32 H new ATOM 99 N ASN A 7 -11.548 -7.443 5.491 1.00 0.32 N ATOM 100 CA ASN A 7 -11.392 -8.384 6.595 1.00 0.36 C ATOM 101 C ASN A 7 -9.998 -8.993 6.586 1.00 0.37 C ATOM 102 O ASN A 7 -9.238 -8.849 7.540 1.00 0.46 O ATOM 103 CB ASN A 7 -12.444 -9.501 6.520 1.00 0.37 C ATOM 104 CG ASN A 7 -13.845 -9.035 6.886 1.00 0.45 C ATOM 105 OD1 ASN A 7 -14.243 -9.077 8.048 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.610 -8.606 5.894 1.00 0.53 N ATOM 0 H ASN A 7 -11.652 -7.883 4.577 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.535 -7.832 7.524 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.457 -9.911 5.510 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -12.152 -10.311 7.189 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.563 -8.296 6.082 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -14.246 -8.585 4.941 1.00 0.53 H new ATOM 113 N ASN A 8 -9.672 -9.685 5.504 1.00 0.33 N ATOM 114 CA ASN A 8 -8.361 -10.304 5.363 1.00 0.39 C ATOM 115 C ASN A 8 -7.481 -9.462 4.459 1.00 0.39 C ATOM 116 O ASN A 8 -7.863 -9.139 3.339 1.00 0.48 O ATOM 117 CB ASN A 8 -8.486 -11.731 4.809 1.00 0.44 C ATOM 118 CG ASN A 8 -7.138 -12.352 4.468 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.447 -12.880 5.340 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.775 -12.331 3.194 1.00 1.47 N ATOM 0 H ASN A 8 -10.296 -9.832 4.711 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.901 -10.362 6.349 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.994 -12.357 5.542 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -9.110 -11.716 3.916 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.896 -12.762 2.907 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -7.374 -11.884 2.500 1.00 1.47 H new ATOM 127 N VAL A 9 -6.317 -9.090 4.949 1.00 0.42 N ATOM 128 CA VAL A 9 -5.374 -8.338 4.149 1.00 0.45 C ATOM 129 C VAL A 9 -3.946 -8.767 4.479 1.00 0.50 C ATOM 130 O VAL A 9 -3.513 -8.716 5.632 1.00 0.60 O ATOM 131 CB VAL A 9 -5.562 -6.810 4.329 1.00 0.48 C ATOM 132 CG1 VAL A 9 -5.381 -6.382 5.780 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.628 -6.040 3.412 1.00 1.01 C ATOM 0 H VAL A 9 -6.002 -9.296 5.897 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.567 -8.558 3.099 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.589 -6.572 4.050 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -5.521 -5.304 5.862 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -6.115 -6.892 6.404 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.377 -6.644 6.114 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.778 -4.970 3.556 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.595 -6.297 3.646 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.840 -6.300 2.375 1.00 1.01 H new ATOM 143 N VAL A 10 -3.243 -9.252 3.466 1.00 0.52 N ATOM 144 CA VAL A 10 -1.882 -9.740 3.637 1.00 0.61 C ATOM 145 C VAL A 10 -0.993 -9.279 2.491 1.00 0.47 C ATOM 146 O VAL A 10 -1.470 -9.036 1.379 1.00 0.48 O ATOM 147 CB VAL A 10 -1.825 -11.285 3.732 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.491 -11.778 5.010 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.474 -11.926 2.513 1.00 1.24 C ATOM 0 H VAL A 10 -3.595 -9.318 2.511 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.518 -9.323 4.576 1.00 0.61 H new ATOM 0 HB VAL A 10 -0.776 -11.580 3.759 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.437 -12.866 5.052 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -1.978 -11.356 5.874 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -3.535 -11.466 5.020 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.422 -13.011 2.602 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.517 -11.616 2.451 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -1.948 -11.610 1.612 1.00 1.24 H new ATOM 159 N VAL A 11 0.294 -9.147 2.771 1.00 0.44 N ATOM 160 CA VAL A 11 1.254 -8.733 1.761 1.00 0.39 C ATOM 161 C VAL A 11 2.073 -9.928 1.308 1.00 0.41 C ATOM 162 O VAL A 11 2.569 -10.698 2.129 1.00 0.52 O ATOM 163 CB VAL A 11 2.218 -7.649 2.279 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.078 -7.112 1.144 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.454 -6.524 2.953 1.00 0.91 C ATOM 0 H VAL A 11 0.698 -9.321 3.691 1.00 0.44 H new ATOM 0 HA VAL A 11 0.682 -8.316 0.932 1.00 0.39 H new ATOM 0 HB VAL A 11 2.874 -8.103 3.021 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.753 -6.347 1.529 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.661 -7.926 0.712 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.438 -6.678 0.376 1.00 0.81 H new ATOM 0 HG21 VAL A 11 2.156 -5.771 3.311 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.768 -6.070 2.238 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.889 -6.922 3.796 1.00 0.91 H new ATOM 175 N LEU A 12 2.216 -10.079 0.007 1.00 0.40 N ATOM 176 CA LEU A 12 2.945 -11.200 -0.546 1.00 0.45 C ATOM 177 C LEU A 12 4.185 -10.708 -1.275 1.00 0.57 C ATOM 178 O LEU A 12 4.451 -9.506 -1.311 1.00 1.18 O ATOM 179 CB LEU A 12 2.058 -12.013 -1.499 1.00 0.50 C ATOM 180 CG LEU A 12 0.739 -12.529 -0.907 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.317 -11.437 -0.886 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.239 -13.733 -1.683 1.00 1.16 C ATOM 0 H LEU A 12 1.835 -9.437 -0.688 1.00 0.40 H new ATOM 0 HA LEU A 12 3.249 -11.850 0.275 1.00 0.45 H new ATOM 0 HB2 LEU A 12 1.828 -11.395 -2.367 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.632 -12.867 -1.859 1.00 0.50 H new ATOM 0 HG LEU A 12 0.932 -12.833 0.122 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.240 -11.832 -0.462 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.034 -10.603 -0.278 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.504 -11.092 -1.903 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.697 -14.084 -1.248 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.073 -13.452 -2.723 1.00 1.16 H new ATOM 0 HD23 LEU A 12 0.982 -14.530 -1.637 1.00 1.16 H new ATOM 194 N ASP A 13 4.946 -11.654 -1.816 1.00 0.84 N ATOM 195 CA ASP A 13 6.156 -11.385 -2.604 1.00 1.01 C ATOM 196 C ASP A 13 7.317 -10.914 -1.736 1.00 0.85 C ATOM 197 O ASP A 13 8.481 -11.116 -2.074 1.00 1.01 O ATOM 198 CB ASP A 13 5.891 -10.368 -3.719 1.00 1.29 C ATOM 199 CG ASP A 13 7.014 -10.328 -4.734 1.00 2.15 C ATOM 200 OD1 ASP A 13 7.988 -9.578 -4.528 1.00 2.57 O ATOM 201 OD2 ASP A 13 6.924 -11.060 -5.745 1.00 2.73 O ATOM 0 H ASP A 13 4.740 -12.648 -1.721 1.00 0.84 H new ATOM 0 HA ASP A 13 6.439 -12.334 -3.059 1.00 1.01 H new ATOM 0 HB2 ASP A 13 4.957 -10.618 -4.222 1.00 1.29 H new ATOM 0 HB3 ASP A 13 5.762 -9.378 -3.282 1.00 1.29 H new ATOM 206 N ASN A 14 7.006 -10.322 -0.604 1.00 0.68 N ATOM 207 CA ASN A 14 8.034 -9.778 0.268 1.00 0.63 C ATOM 208 C ASN A 14 8.578 -10.867 1.186 1.00 0.57 C ATOM 209 O ASN A 14 7.863 -11.803 1.545 1.00 0.67 O ATOM 210 CB ASN A 14 7.491 -8.611 1.103 1.00 0.78 C ATOM 211 CG ASN A 14 6.930 -9.046 2.445 1.00 0.96 C ATOM 212 OD1 ASN A 14 7.653 -9.098 3.441 1.00 1.88 O ATOM 213 ND2 ASN A 14 5.642 -9.345 2.482 1.00 1.40 N ATOM 0 H ASN A 14 6.052 -10.203 -0.263 1.00 0.68 H new ATOM 0 HA ASN A 14 8.842 -9.402 -0.359 1.00 0.63 H new ATOM 0 HB2 ASN A 14 8.290 -7.888 1.268 1.00 0.78 H new ATOM 0 HB3 ASN A 14 6.711 -8.101 0.538 1.00 0.78 H new ATOM 0 HD21 ASN A 14 5.210 -9.632 3.360 1.00 1.40 H new ATOM 0 HD22 ASN A 14 5.081 -9.288 1.632 1.00 1.40 H new ATOM 220 N PRO A 15 9.854 -10.765 1.567 1.00 0.51 N ATOM 221 CA PRO A 15 10.751 -9.711 1.116 1.00 0.45 C ATOM 222 C PRO A 15 11.501 -10.088 -0.159 1.00 0.44 C ATOM 223 O PRO A 15 11.903 -11.240 -0.346 1.00 0.48 O ATOM 224 CB PRO A 15 11.733 -9.563 2.287 1.00 0.48 C ATOM 225 CG PRO A 15 11.467 -10.714 3.217 1.00 0.57 C ATOM 226 CD PRO A 15 10.531 -11.653 2.506 1.00 0.60 C ATOM 0 HA PRO A 15 10.213 -8.796 0.868 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.764 -9.581 1.933 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.587 -8.611 2.797 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.396 -11.221 3.477 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.024 -10.362 4.149 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.068 -12.452 1.995 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.831 -12.128 3.194 1.00 0.60 H new ATOM 234 N SER A 16 11.687 -9.108 -1.025 1.00 0.42 N ATOM 235 CA SER A 16 12.399 -9.299 -2.285 1.00 0.47 C ATOM 236 C SER A 16 13.071 -7.992 -2.677 1.00 0.45 C ATOM 237 O SER A 16 12.782 -6.962 -2.072 1.00 0.43 O ATOM 238 CB SER A 16 11.432 -9.753 -3.389 1.00 0.59 C ATOM 239 OG SER A 16 10.886 -11.029 -3.103 1.00 0.77 O ATOM 0 H SER A 16 11.351 -8.156 -0.879 1.00 0.42 H new ATOM 0 HA SER A 16 13.154 -10.075 -2.158 1.00 0.47 H new ATOM 0 HB2 SER A 16 10.627 -9.025 -3.492 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.956 -9.785 -4.344 1.00 0.59 H new ATOM 0 HG SER A 16 10.016 -10.922 -2.665 1.00 0.77 H new ATOM 245 N PRO A 17 13.988 -8.007 -3.665 1.00 0.52 N ATOM 246 CA PRO A 17 14.616 -6.784 -4.175 1.00 0.52 C ATOM 247 C PRO A 17 13.588 -5.699 -4.478 1.00 0.48 C ATOM 248 O PRO A 17 12.491 -5.995 -4.937 1.00 0.58 O ATOM 249 CB PRO A 17 15.298 -7.246 -5.461 1.00 0.60 C ATOM 250 CG PRO A 17 15.589 -8.690 -5.243 1.00 0.83 C ATOM 251 CD PRO A 17 14.497 -9.215 -4.348 1.00 0.63 C ATOM 0 HA PRO A 17 15.300 -6.340 -3.452 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.651 -7.100 -6.326 1.00 0.60 H new ATOM 0 HB3 PRO A 17 16.212 -6.683 -5.648 1.00 0.60 H new ATOM 0 HG2 PRO A 17 15.608 -9.229 -6.190 1.00 0.83 H new ATOM 0 HG3 PRO A 17 16.567 -8.823 -4.781 1.00 0.83 H new ATOM 0 HD2 PRO A 17 13.713 -9.710 -4.922 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.880 -9.945 -3.636 1.00 0.63 H new ATOM 259 N PHE A 18 13.964 -4.451 -4.216 1.00 0.41 N ATOM 260 CA PHE A 18 13.077 -3.290 -4.365 1.00 0.37 C ATOM 261 C PHE A 18 12.331 -3.254 -5.705 1.00 0.36 C ATOM 262 O PHE A 18 11.250 -2.675 -5.795 1.00 0.37 O ATOM 263 CB PHE A 18 13.894 -2.002 -4.165 1.00 0.38 C ATOM 264 CG PHE A 18 13.295 -0.779 -4.806 1.00 0.34 C ATOM 265 CD1 PHE A 18 12.254 -0.090 -4.203 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.775 -0.325 -6.025 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.703 1.024 -4.808 1.00 0.37 C ATOM 268 CE2 PHE A 18 13.231 0.787 -6.632 1.00 0.36 C ATOM 269 CZ PHE A 18 12.192 1.464 -6.025 1.00 0.37 C ATOM 0 H PHE A 18 14.900 -4.209 -3.891 1.00 0.41 H new ATOM 0 HA PHE A 18 12.305 -3.374 -3.601 1.00 0.37 H new ATOM 0 HB2 PHE A 18 14.005 -1.819 -3.096 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.895 -2.155 -4.568 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.870 -0.427 -3.251 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.587 -0.850 -6.506 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.890 1.551 -4.330 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.617 1.128 -7.581 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.762 2.334 -6.499 1.00 0.37 H new ATOM 279 N TYR A 19 12.886 -3.878 -6.732 1.00 0.38 N ATOM 280 CA TYR A 19 12.255 -3.868 -8.046 1.00 0.41 C ATOM 281 C TYR A 19 11.140 -4.906 -8.140 1.00 0.44 C ATOM 282 O TYR A 19 10.686 -5.254 -9.234 1.00 0.52 O ATOM 283 CB TYR A 19 13.296 -4.082 -9.142 1.00 0.45 C ATOM 284 CG TYR A 19 14.010 -2.806 -9.522 1.00 0.46 C ATOM 285 CD1 TYR A 19 15.136 -2.396 -8.823 1.00 0.58 C ATOM 286 CD2 TYR A 19 13.577 -2.025 -10.587 1.00 0.52 C ATOM 287 CE1 TYR A 19 15.811 -1.243 -9.171 1.00 0.64 C ATOM 288 CE2 TYR A 19 14.246 -0.867 -10.939 1.00 0.56 C ATOM 289 CZ TYR A 19 15.287 -0.435 -10.213 1.00 0.57 C ATOM 290 OH TYR A 19 16.044 0.661 -10.579 1.00 0.65 O ATOM 0 H TYR A 19 13.764 -4.394 -6.684 1.00 0.38 H new ATOM 0 HA TYR A 19 11.800 -2.888 -8.190 1.00 0.41 H new ATOM 0 HB2 TYR A 19 14.027 -4.817 -8.805 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.809 -4.498 -10.024 1.00 0.45 H new ATOM 0 HD1 TYR A 19 15.491 -2.989 -7.993 1.00 0.58 H new ATOM 0 HD2 TYR A 19 12.705 -2.327 -11.148 1.00 0.52 H new ATOM 0 HE1 TYR A 19 16.720 -0.962 -8.660 1.00 0.64 H new ATOM 0 HE2 TYR A 19 13.927 -0.306 -11.805 1.00 0.56 H new ATOM 0 HH TYR A 19 15.592 1.144 -11.302 1.00 0.65 H new ATOM 300 N ASN A 20 10.697 -5.387 -6.993 1.00 0.44 N ATOM 301 CA ASN A 20 9.564 -6.292 -6.923 1.00 0.48 C ATOM 302 C ASN A 20 8.262 -5.494 -6.841 1.00 0.42 C ATOM 303 O ASN A 20 8.269 -4.317 -6.474 1.00 0.52 O ATOM 304 CB ASN A 20 9.695 -7.227 -5.715 1.00 0.61 C ATOM 305 CG ASN A 20 9.462 -6.537 -4.380 1.00 1.03 C ATOM 306 OD1 ASN A 20 9.802 -5.373 -4.186 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.870 -7.261 -3.450 1.00 0.69 N ATOM 0 H ASN A 20 11.110 -5.163 -6.088 1.00 0.44 H new ATOM 0 HA ASN A 20 9.547 -6.902 -7.826 1.00 0.48 H new ATOM 0 HB2 ASN A 20 8.982 -8.045 -5.821 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.691 -7.670 -5.716 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.680 -6.857 -2.533 1.00 0.69 H new ATOM 0 HD22 ASN A 20 8.602 -8.225 -3.648 1.00 0.69 H new ATOM 314 N PRO A 21 7.130 -6.108 -7.201 1.00 0.41 N ATOM 315 CA PRO A 21 5.839 -5.441 -7.196 1.00 0.38 C ATOM 316 C PRO A 21 5.165 -5.463 -5.827 1.00 0.35 C ATOM 317 O PRO A 21 5.351 -6.394 -5.037 1.00 0.42 O ATOM 318 CB PRO A 21 5.008 -6.255 -8.204 1.00 0.44 C ATOM 319 CG PRO A 21 5.885 -7.380 -8.661 1.00 0.62 C ATOM 320 CD PRO A 21 7.000 -7.489 -7.662 1.00 0.57 C ATOM 0 HA PRO A 21 5.937 -4.385 -7.448 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.098 -6.635 -7.740 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.701 -5.634 -9.046 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.322 -8.312 -8.716 1.00 0.62 H new ATOM 0 HG3 PRO A 21 6.277 -7.185 -9.659 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.753 -8.170 -6.847 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.920 -7.856 -8.116 1.00 0.57 H new ATOM 328 N PHE A 22 4.387 -4.424 -5.553 1.00 0.33 N ATOM 329 CA PHE A 22 3.533 -4.393 -4.381 1.00 0.34 C ATOM 330 C PHE A 22 2.410 -5.399 -4.559 1.00 0.33 C ATOM 331 O PHE A 22 1.397 -5.098 -5.190 1.00 0.41 O ATOM 332 CB PHE A 22 2.929 -3.001 -4.164 1.00 0.37 C ATOM 333 CG PHE A 22 3.925 -1.932 -3.828 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.355 -1.753 -2.527 1.00 0.43 C ATOM 335 CD2 PHE A 22 4.434 -1.108 -4.815 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.269 -0.773 -2.217 1.00 0.53 C ATOM 337 CE2 PHE A 22 5.352 -0.128 -4.508 1.00 0.57 C ATOM 338 CZ PHE A 22 5.762 0.047 -3.204 1.00 0.58 C ATOM 0 H PHE A 22 4.333 -3.587 -6.134 1.00 0.33 H new ATOM 0 HA PHE A 22 4.139 -4.642 -3.510 1.00 0.34 H new ATOM 0 HB2 PHE A 22 2.392 -2.708 -5.066 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.194 -3.060 -3.361 1.00 0.37 H new ATOM 0 HD1 PHE A 22 3.969 -2.390 -1.745 1.00 0.43 H new ATOM 0 HD2 PHE A 22 4.108 -1.234 -5.837 1.00 0.49 H new ATOM 0 HE1 PHE A 22 5.600 -0.648 -1.197 1.00 0.53 H new ATOM 0 HE2 PHE A 22 5.750 0.503 -5.289 1.00 0.57 H new ATOM 0 HZ PHE A 22 6.468 0.826 -2.958 1.00 0.58 H new ATOM 348 N GLN A 23 2.614 -6.601 -4.052 1.00 0.31 N ATOM 349 CA GLN A 23 1.608 -7.646 -4.158 1.00 0.34 C ATOM 350 C GLN A 23 0.801 -7.755 -2.871 1.00 0.33 C ATOM 351 O GLN A 23 1.307 -8.197 -1.838 1.00 0.38 O ATOM 352 CB GLN A 23 2.258 -8.987 -4.499 1.00 0.45 C ATOM 353 CG GLN A 23 1.267 -10.140 -4.557 1.00 0.97 C ATOM 354 CD GLN A 23 1.860 -11.407 -5.135 1.00 0.90 C ATOM 355 OE1 GLN A 23 3.152 -11.604 -4.945 1.00 1.41 O flip ATOM 356 NE2 GLN A 23 1.156 -12.206 -5.748 1.00 1.13 N flip ATOM 0 H GLN A 23 3.465 -6.879 -3.563 1.00 0.31 H new ATOM 0 HA GLN A 23 0.926 -7.379 -4.965 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.764 -8.903 -5.461 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.023 -9.212 -3.755 1.00 0.45 H new ATOM 0 HG2 GLN A 23 0.898 -10.345 -3.552 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.407 -9.842 -5.157 1.00 0.97 H new ATOM 0 HE21 GLN A 23 0.161 -12.018 -5.874 1.00 1.13 H new ATOM 0 HE22 GLN A 23 1.566 -13.058 -6.131 1.00 1.13 H new ATOM 365 N PHE A 24 -0.450 -7.337 -2.944 1.00 0.31 N ATOM 366 CA PHE A 24 -1.349 -7.392 -1.803 1.00 0.33 C ATOM 367 C PHE A 24 -2.516 -8.316 -2.087 1.00 0.36 C ATOM 368 O PHE A 24 -3.067 -8.310 -3.185 1.00 0.50 O ATOM 369 CB PHE A 24 -1.890 -6.001 -1.475 1.00 0.31 C ATOM 370 CG PHE A 24 -0.834 -5.017 -1.081 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.274 -5.063 0.180 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.410 -4.044 -1.967 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.696 -4.156 0.555 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.560 -3.131 -1.598 1.00 0.32 C ATOM 375 CZ PHE A 24 1.114 -3.187 -0.334 1.00 0.30 C ATOM 0 H PHE A 24 -0.870 -6.952 -3.790 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.782 -7.772 -0.953 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.426 -5.616 -2.343 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.614 -6.085 -0.665 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.599 -5.818 0.881 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.841 -3.997 -2.956 1.00 0.32 H new ATOM 0 HE1 PHE A 24 1.128 -4.205 1.544 1.00 0.31 H new ATOM 0 HE2 PHE A 24 0.884 -2.375 -2.297 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.872 -2.475 -0.042 1.00 0.30 H new ATOM 385 N GLU A 25 -2.897 -9.102 -1.103 1.00 0.31 N ATOM 386 CA GLU A 25 -4.076 -9.933 -1.229 1.00 0.34 C ATOM 387 C GLU A 25 -5.177 -9.354 -0.362 1.00 0.32 C ATOM 388 O GLU A 25 -5.184 -9.520 0.860 1.00 0.35 O ATOM 389 CB GLU A 25 -3.781 -11.380 -0.846 1.00 0.43 C ATOM 390 CG GLU A 25 -4.951 -12.318 -1.083 1.00 0.97 C ATOM 391 CD GLU A 25 -4.563 -13.772 -0.958 1.00 1.43 C ATOM 392 OE1 GLU A 25 -4.335 -14.240 0.176 1.00 1.72 O ATOM 393 OE2 GLU A 25 -4.483 -14.455 -1.999 1.00 1.98 O ATOM 0 H GLU A 25 -2.410 -9.183 -0.210 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.398 -9.941 -2.270 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.922 -11.731 -1.418 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.501 -11.419 0.207 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.742 -12.094 -0.368 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -5.360 -12.139 -2.077 1.00 0.97 H new ATOM 400 N ILE A 26 -6.076 -8.633 -1.004 1.00 0.30 N ATOM 401 CA ILE A 26 -7.115 -7.904 -0.305 1.00 0.30 C ATOM 402 C ILE A 26 -8.443 -8.654 -0.344 1.00 0.29 C ATOM 403 O ILE A 26 -9.029 -8.857 -1.408 1.00 0.32 O ATOM 404 CB ILE A 26 -7.298 -6.504 -0.915 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.964 -5.755 -0.916 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.353 -5.723 -0.142 1.00 0.36 C ATOM 407 CD1 ILE A 26 -6.000 -4.448 -1.677 1.00 0.29 C ATOM 0 H ILE A 26 -6.107 -8.537 -2.019 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.802 -7.807 0.735 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.638 -6.609 -1.945 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.668 -5.557 0.114 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.198 -6.397 -1.350 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.471 -4.734 -0.585 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.303 -6.256 -0.184 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -8.040 -5.620 0.897 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -5.019 -3.974 -1.633 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.265 -4.640 -2.717 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.742 -3.787 -1.230 1.00 0.29 H new ATOM 419 N THR A 27 -8.900 -9.072 0.825 1.00 0.31 N ATOM 420 CA THR A 27 -10.188 -9.726 0.963 1.00 0.30 C ATOM 421 C THR A 27 -11.163 -8.804 1.687 1.00 0.27 C ATOM 422 O THR A 27 -11.069 -8.610 2.904 1.00 0.29 O ATOM 423 CB THR A 27 -10.049 -11.034 1.760 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.922 -11.777 1.278 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.313 -11.883 1.657 1.00 0.34 C ATOM 0 H THR A 27 -8.389 -8.967 1.702 1.00 0.31 H new ATOM 0 HA THR A 27 -10.564 -9.954 -0.034 1.00 0.30 H new ATOM 0 HB THR A 27 -9.898 -10.779 2.809 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.928 -12.673 1.674 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.183 -12.800 2.231 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.160 -11.324 2.054 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.500 -12.132 0.612 1.00 0.34 H new ATOM 433 N PHE A 28 -12.097 -8.247 0.944 1.00 0.23 N ATOM 434 CA PHE A 28 -13.058 -7.325 1.504 1.00 0.22 C ATOM 435 C PHE A 28 -14.462 -7.860 1.300 1.00 0.21 C ATOM 436 O PHE A 28 -14.796 -8.365 0.231 1.00 0.20 O ATOM 437 CB PHE A 28 -12.912 -5.944 0.863 1.00 0.21 C ATOM 438 CG PHE A 28 -13.247 -5.909 -0.603 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.356 -6.390 -1.551 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.454 -5.388 -1.031 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.671 -6.348 -2.897 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.770 -5.344 -2.371 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.879 -5.824 -3.307 1.00 0.28 C ATOM 0 H PHE A 28 -12.210 -8.419 -0.055 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.870 -7.225 2.573 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.558 -5.241 1.389 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.887 -5.599 0.999 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.408 -6.801 -1.235 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -15.159 -5.010 -0.305 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.971 -6.726 -3.627 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.717 -4.933 -2.689 1.00 0.26 H new ATOM 0 HZ PHE A 28 -14.126 -5.790 -4.358 1.00 0.28 H new ATOM 453 N GLU A 29 -15.274 -7.763 2.325 1.00 0.22 N ATOM 454 CA GLU A 29 -16.628 -8.263 2.257 1.00 0.23 C ATOM 455 C GLU A 29 -17.595 -7.105 2.104 1.00 0.25 C ATOM 456 O GLU A 29 -17.703 -6.247 2.983 1.00 0.29 O ATOM 457 CB GLU A 29 -16.943 -9.092 3.500 1.00 0.26 C ATOM 458 CG GLU A 29 -18.318 -9.732 3.496 1.00 0.33 C ATOM 459 CD GLU A 29 -18.518 -10.651 4.683 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.461 -10.166 5.832 1.00 0.77 O ATOM 461 OE2 GLU A 29 -18.766 -11.856 4.471 1.00 0.67 O ATOM 0 H GLU A 29 -15.021 -7.342 3.219 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.734 -8.911 1.387 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -16.192 -9.875 3.599 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.856 -8.454 4.379 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -19.081 -8.953 3.508 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.453 -10.297 2.573 1.00 0.33 H new ATOM 468 N CYS A 30 -18.256 -7.061 0.963 1.00 0.24 N ATOM 469 CA CYS A 30 -19.248 -6.043 0.703 1.00 0.28 C ATOM 470 C CYS A 30 -20.514 -6.367 1.475 1.00 0.33 C ATOM 471 O CYS A 30 -21.159 -7.389 1.236 1.00 0.35 O ATOM 472 CB CYS A 30 -19.544 -5.951 -0.792 1.00 0.29 C ATOM 473 SG CYS A 30 -18.070 -5.788 -1.821 1.00 0.51 S ATOM 0 H CYS A 30 -18.121 -7.724 0.199 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.863 -5.077 1.030 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -20.093 -6.841 -1.099 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.197 -5.097 -0.971 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.025 -4.592 -2.329 1.00 0.51 H new ATOM 479 N ILE A 31 -20.842 -5.502 2.416 1.00 0.39 N ATOM 480 CA ILE A 31 -21.998 -5.692 3.266 1.00 0.45 C ATOM 481 C ILE A 31 -23.255 -5.355 2.486 1.00 0.48 C ATOM 482 O ILE A 31 -24.322 -5.923 2.716 1.00 0.53 O ATOM 483 CB ILE A 31 -21.919 -4.798 4.522 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.510 -4.857 5.120 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.954 -5.230 5.550 1.00 0.57 C ATOM 486 CD1 ILE A 31 -20.330 -4.002 6.357 1.00 0.52 C ATOM 0 H ILE A 31 -20.315 -4.651 2.611 1.00 0.39 H new ATOM 0 HA ILE A 31 -22.022 -6.733 3.587 1.00 0.45 H new ATOM 0 HB ILE A 31 -22.134 -3.769 4.234 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.275 -5.892 5.369 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.792 -4.540 4.364 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.884 -4.589 6.429 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.952 -5.147 5.119 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.769 -6.264 5.840 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -19.307 -4.098 6.720 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.532 -2.959 6.111 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -21.022 -4.332 7.132 1.00 0.52 H new ATOM 498 N GLU A 32 -23.107 -4.439 1.542 1.00 0.49 N ATOM 499 CA GLU A 32 -24.212 -3.997 0.716 1.00 0.53 C ATOM 500 C GLU A 32 -23.756 -3.834 -0.726 1.00 0.52 C ATOM 501 O GLU A 32 -22.558 -3.817 -1.006 1.00 0.51 O ATOM 502 CB GLU A 32 -24.784 -2.681 1.245 1.00 0.60 C ATOM 503 CG GLU A 32 -25.498 -2.818 2.580 1.00 0.84 C ATOM 504 CD GLU A 32 -26.158 -1.533 3.026 1.00 1.25 C ATOM 505 OE1 GLU A 32 -27.249 -1.215 2.517 1.00 1.53 O ATOM 506 OE2 GLU A 32 -25.584 -0.826 3.881 1.00 1.83 O ATOM 0 H GLU A 32 -22.219 -3.984 1.330 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.997 -4.752 0.752 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.974 -1.959 1.348 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.480 -2.276 0.510 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -26.252 -3.601 2.505 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.783 -3.136 3.338 1.00 0.84 H new ATOM 513 N ASP A 33 -24.718 -3.723 -1.627 1.00 0.62 N ATOM 514 CA ASP A 33 -24.443 -3.600 -3.053 1.00 0.65 C ATOM 515 C ASP A 33 -23.916 -2.207 -3.404 1.00 0.65 C ATOM 516 O ASP A 33 -24.499 -1.194 -3.013 1.00 0.79 O ATOM 517 CB ASP A 33 -25.721 -3.896 -3.841 1.00 0.76 C ATOM 518 CG ASP A 33 -25.565 -3.692 -5.332 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.902 -4.524 -5.984 1.00 2.18 O ATOM 520 OD2 ASP A 33 -26.134 -2.713 -5.863 1.00 2.01 O ATOM 0 H ASP A 33 -25.711 -3.715 -1.393 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.669 -4.320 -3.320 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -26.026 -4.925 -3.652 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -26.522 -3.254 -3.475 1.00 0.76 H new ATOM 525 N LEU A 34 -22.806 -2.167 -4.129 1.00 0.57 N ATOM 526 CA LEU A 34 -22.219 -0.908 -4.575 1.00 0.57 C ATOM 527 C LEU A 34 -22.796 -0.504 -5.926 1.00 0.64 C ATOM 528 O LEU A 34 -22.856 -1.318 -6.845 1.00 0.71 O ATOM 529 CB LEU A 34 -20.692 -1.027 -4.708 1.00 0.55 C ATOM 530 CG LEU A 34 -19.875 -0.980 -3.410 1.00 0.81 C ATOM 531 CD1 LEU A 34 -20.092 0.340 -2.700 1.00 1.52 C ATOM 532 CD2 LEU A 34 -20.207 -2.149 -2.492 1.00 1.41 C ATOM 0 H LEU A 34 -22.291 -2.997 -4.423 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.457 -0.152 -3.827 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.468 -1.965 -5.216 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.345 -0.223 -5.357 1.00 0.55 H new ATOM 0 HG LEU A 34 -18.822 -1.067 -3.676 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.506 0.359 -1.781 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -19.777 1.158 -3.348 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -21.149 0.454 -2.459 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -19.608 -2.080 -1.584 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -21.265 -2.118 -2.232 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -19.986 -3.086 -3.002 1.00 1.41 H new ATOM 544 N SER A 35 -23.218 0.745 -6.049 1.00 0.75 N ATOM 545 CA SER A 35 -23.678 1.265 -7.328 1.00 0.89 C ATOM 546 C SER A 35 -22.591 2.133 -7.956 1.00 0.75 C ATOM 547 O SER A 35 -22.513 2.270 -9.179 1.00 0.92 O ATOM 548 CB SER A 35 -24.981 2.046 -7.149 1.00 1.14 C ATOM 549 OG SER A 35 -25.988 1.207 -6.609 1.00 1.55 O ATOM 0 H SER A 35 -23.252 1.416 -5.281 1.00 0.75 H new ATOM 0 HA SER A 35 -23.881 0.433 -8.002 1.00 0.89 H new ATOM 0 HB2 SER A 35 -24.815 2.897 -6.489 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.308 2.446 -8.109 1.00 1.14 H new ATOM 0 HG SER A 35 -26.816 1.719 -6.498 1.00 1.55 H new ATOM 555 N GLU A 36 -21.751 2.712 -7.108 1.00 0.61 N ATOM 556 CA GLU A 36 -20.573 3.425 -7.570 1.00 0.51 C ATOM 557 C GLU A 36 -19.376 2.477 -7.547 1.00 0.44 C ATOM 558 O GLU A 36 -19.427 1.418 -6.916 1.00 0.53 O ATOM 559 CB GLU A 36 -20.307 4.663 -6.697 1.00 0.63 C ATOM 560 CG GLU A 36 -19.154 5.530 -7.183 1.00 1.48 C ATOM 561 CD GLU A 36 -18.878 6.694 -6.261 1.00 2.16 C ATOM 562 OE1 GLU A 36 -19.515 7.752 -6.437 1.00 2.46 O ATOM 563 OE2 GLU A 36 -18.030 6.555 -5.356 1.00 2.95 O ATOM 0 H GLU A 36 -21.866 2.700 -6.095 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.738 3.772 -8.590 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -21.212 5.269 -6.659 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -20.098 4.338 -5.678 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -18.256 4.919 -7.270 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -19.382 5.906 -8.180 1.00 1.48 H new ATOM 570 N ASP A 37 -18.314 2.853 -8.234 1.00 0.37 N ATOM 571 CA ASP A 37 -17.124 2.019 -8.327 1.00 0.36 C ATOM 572 C ASP A 37 -16.177 2.304 -7.169 1.00 0.35 C ATOM 573 O ASP A 37 -15.979 3.455 -6.780 1.00 0.50 O ATOM 574 CB ASP A 37 -16.411 2.228 -9.669 1.00 0.49 C ATOM 575 CG ASP A 37 -16.067 3.677 -9.946 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.989 4.461 -10.256 1.00 1.88 O ATOM 577 OD2 ASP A 37 -14.873 4.030 -9.892 1.00 1.30 O ATOM 0 H ASP A 37 -18.248 3.736 -8.740 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.437 0.977 -8.268 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.496 1.636 -9.682 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -17.046 1.853 -10.472 1.00 0.49 H new ATOM 582 N LEU A 38 -15.614 1.246 -6.607 1.00 0.30 N ATOM 583 CA LEU A 38 -14.711 1.373 -5.469 1.00 0.31 C ATOM 584 C LEU A 38 -13.287 1.591 -5.968 1.00 0.28 C ATOM 585 O LEU A 38 -12.744 0.743 -6.678 1.00 0.29 O ATOM 586 CB LEU A 38 -14.782 0.106 -4.603 1.00 0.39 C ATOM 587 CG LEU A 38 -14.577 0.297 -3.092 1.00 0.42 C ATOM 588 CD1 LEU A 38 -13.217 0.908 -2.784 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.693 1.152 -2.511 1.00 1.32 C ATOM 0 H LEU A 38 -15.766 0.287 -6.920 1.00 0.30 H new ATOM 0 HA LEU A 38 -15.010 2.229 -4.864 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.755 -0.360 -4.759 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.030 -0.596 -4.963 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.608 -0.687 -2.624 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -13.108 1.028 -1.706 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.431 0.252 -3.158 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -13.138 1.882 -3.268 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.534 1.279 -1.440 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.693 2.128 -2.996 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.652 0.663 -2.680 1.00 1.32 H new ATOM 601 N GLU A 39 -12.692 2.718 -5.600 1.00 0.30 N ATOM 602 CA GLU A 39 -11.349 3.056 -6.054 1.00 0.32 C ATOM 603 C GLU A 39 -10.304 2.667 -5.007 1.00 0.31 C ATOM 604 O GLU A 39 -10.130 3.356 -4.002 1.00 0.43 O ATOM 605 CB GLU A 39 -11.261 4.557 -6.368 1.00 0.42 C ATOM 606 CG GLU A 39 -9.961 4.974 -7.044 1.00 0.50 C ATOM 607 CD GLU A 39 -9.963 6.429 -7.477 1.00 0.68 C ATOM 608 OE1 GLU A 39 -10.568 6.747 -8.520 1.00 0.92 O ATOM 609 OE2 GLU A 39 -9.366 7.267 -6.767 1.00 0.73 O ATOM 0 H GLU A 39 -13.118 3.414 -4.988 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.141 2.492 -6.963 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -12.097 4.833 -7.010 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.373 5.119 -5.441 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -9.130 4.805 -6.359 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.790 4.341 -7.915 1.00 0.50 H new ATOM 616 N TRP A 40 -9.641 1.543 -5.234 1.00 0.24 N ATOM 617 CA TRP A 40 -8.556 1.097 -4.367 1.00 0.23 C ATOM 618 C TRP A 40 -7.250 1.713 -4.853 1.00 0.24 C ATOM 619 O TRP A 40 -7.018 1.778 -6.052 1.00 0.28 O ATOM 620 CB TRP A 40 -8.448 -0.433 -4.391 1.00 0.24 C ATOM 621 CG TRP A 40 -9.707 -1.141 -3.982 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.829 -1.330 -4.736 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.962 -1.766 -2.723 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.771 -2.022 -4.017 1.00 0.27 N ATOM 625 CE2 TRP A 40 -11.261 -2.298 -2.776 1.00 0.25 C ATOM 626 CE3 TRP A 40 -9.218 -1.920 -1.553 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.831 -2.977 -1.705 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.785 -2.593 -0.489 1.00 0.43 C ATOM 629 CH2 TRP A 40 -11.081 -3.111 -0.571 1.00 0.40 C ATOM 0 H TRP A 40 -9.836 0.918 -6.016 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.758 1.413 -3.344 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.175 -0.752 -5.397 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.639 -0.740 -3.728 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.957 -0.985 -5.751 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.698 -2.287 -4.351 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -8.217 -1.520 -1.481 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.830 -3.383 -1.767 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -9.218 -2.721 0.421 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.498 -3.628 0.280 1.00 0.40 H new ATOM 640 N LYS A 41 -6.400 2.169 -3.946 1.00 0.25 N ATOM 641 CA LYS A 41 -5.188 2.870 -4.350 1.00 0.25 C ATOM 642 C LYS A 41 -3.978 2.467 -3.522 1.00 0.23 C ATOM 643 O LYS A 41 -4.093 2.180 -2.331 1.00 0.27 O ATOM 644 CB LYS A 41 -5.393 4.373 -4.211 1.00 0.37 C ATOM 645 CG LYS A 41 -5.313 5.133 -5.520 1.00 0.63 C ATOM 646 CD LYS A 41 -5.526 6.609 -5.293 1.00 0.65 C ATOM 647 CE LYS A 41 -6.978 6.856 -4.952 1.00 1.03 C ATOM 648 NZ LYS A 41 -7.178 7.980 -3.995 1.00 1.23 N ATOM 0 H LYS A 41 -6.523 2.069 -2.938 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.994 2.597 -5.387 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.367 4.555 -3.756 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -4.643 4.769 -3.527 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -4.340 4.968 -5.983 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.065 4.754 -6.213 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -4.885 6.961 -4.484 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -5.249 7.170 -6.186 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -7.528 7.067 -5.869 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -7.404 5.947 -4.527 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.408 7.599 -3.055 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.307 8.545 -3.936 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -7.959 8.582 -4.325 1.00 1.23 H new ATOM 662 N ILE A 42 -2.820 2.453 -4.170 1.00 0.22 N ATOM 663 CA ILE A 42 -1.551 2.316 -3.470 1.00 0.24 C ATOM 664 C ILE A 42 -0.838 3.658 -3.438 1.00 0.25 C ATOM 665 O ILE A 42 -0.201 4.057 -4.418 1.00 0.31 O ATOM 666 CB ILE A 42 -0.616 1.269 -4.125 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.210 -0.134 -3.992 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.783 1.318 -3.506 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.296 -1.229 -4.500 1.00 0.46 C ATOM 0 H ILE A 42 -2.734 2.535 -5.183 1.00 0.22 H new ATOM 0 HA ILE A 42 -1.781 1.972 -2.462 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.526 1.512 -5.184 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -1.443 -0.323 -2.944 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.151 -0.175 -4.540 1.00 0.33 H new ATOM 0 HG21 ILE A 42 1.419 0.573 -3.984 1.00 0.37 H new ATOM 0 HG22 ILE A 42 1.212 2.309 -3.654 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.716 1.107 -2.439 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -0.782 -2.196 -4.374 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.083 -1.064 -5.556 1.00 0.46 H new ATOM 0 HD13 ILE A 42 0.636 -1.216 -3.936 1.00 0.46 H new ATOM 681 N ILE A 43 -0.989 4.372 -2.338 1.00 0.24 N ATOM 682 CA ILE A 43 -0.256 5.604 -2.128 1.00 0.27 C ATOM 683 C ILE A 43 0.973 5.299 -1.287 1.00 0.26 C ATOM 684 O ILE A 43 0.876 5.038 -0.088 1.00 0.30 O ATOM 685 CB ILE A 43 -1.116 6.674 -1.423 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.400 6.937 -2.217 1.00 0.37 C ATOM 687 CG2 ILE A 43 -0.319 7.961 -1.254 1.00 0.39 C ATOM 688 CD1 ILE A 43 -3.343 7.912 -1.545 1.00 0.69 C ATOM 0 H ILE A 43 -1.615 4.118 -1.574 1.00 0.24 H new ATOM 0 HA ILE A 43 0.030 6.006 -3.100 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.393 6.305 -0.436 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -2.135 7.322 -3.202 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.920 5.992 -2.373 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.936 8.708 -0.755 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.568 7.763 -0.652 1.00 0.39 H new ATOM 0 HG23 ILE A 43 -0.018 8.334 -2.233 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -4.229 8.048 -2.166 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.639 7.520 -0.572 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.842 8.871 -1.413 1.00 0.69 H new ATOM 700 N TYR A 44 2.123 5.296 -1.927 1.00 0.29 N ATOM 701 CA TYR A 44 3.358 4.944 -1.255 1.00 0.29 C ATOM 702 C TYR A 44 4.062 6.197 -0.740 1.00 0.28 C ATOM 703 O TYR A 44 3.972 7.263 -1.347 1.00 0.33 O ATOM 704 CB TYR A 44 4.251 4.156 -2.220 1.00 0.32 C ATOM 705 CG TYR A 44 5.493 3.569 -1.588 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.437 2.440 -0.777 1.00 0.42 C ATOM 707 CD2 TYR A 44 6.725 4.167 -1.787 1.00 0.38 C ATOM 708 CE1 TYR A 44 6.580 1.928 -0.191 1.00 0.50 C ATOM 709 CE2 TYR A 44 7.869 3.665 -1.203 1.00 0.45 C ATOM 710 CZ TYR A 44 7.761 2.435 -0.447 1.00 0.49 C ATOM 711 OH TYR A 44 8.935 2.059 0.185 1.00 0.59 O ATOM 0 H TYR A 44 2.230 5.534 -2.913 1.00 0.29 H new ATOM 0 HA TYR A 44 3.139 4.316 -0.391 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.666 3.348 -2.659 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.550 4.813 -3.037 1.00 0.32 H new ATOM 0 HD1 TYR A 44 4.487 1.957 -0.603 1.00 0.42 H new ATOM 0 HD2 TYR A 44 6.792 5.045 -2.413 1.00 0.38 H new ATOM 0 HE1 TYR A 44 6.498 1.094 0.491 1.00 0.50 H new ATOM 0 HE2 TYR A 44 8.816 4.174 -1.306 1.00 0.45 H new ATOM 0 HH TYR A 44 9.689 2.173 -0.431 1.00 0.59 H new ATOM 721 N VAL A 45 4.723 6.076 0.407 1.00 0.27 N ATOM 722 CA VAL A 45 5.494 7.182 0.957 1.00 0.28 C ATOM 723 C VAL A 45 6.740 7.416 0.119 1.00 0.30 C ATOM 724 O VAL A 45 7.605 6.545 0.027 1.00 0.36 O ATOM 725 CB VAL A 45 5.921 6.926 2.421 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.735 8.093 2.961 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.713 6.678 3.303 1.00 0.34 C ATOM 0 H VAL A 45 4.740 5.226 0.971 1.00 0.27 H new ATOM 0 HA VAL A 45 4.849 8.060 0.937 1.00 0.28 H new ATOM 0 HB VAL A 45 6.546 6.033 2.433 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.023 7.889 3.992 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.630 8.224 2.353 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.135 9.002 2.925 1.00 0.37 H new ATOM 0 HG21 VAL A 45 5.041 6.501 4.327 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.059 7.549 3.277 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.170 5.805 2.940 1.00 0.34 H new ATOM 737 N GLY A 46 6.816 8.580 -0.503 1.00 0.32 N ATOM 738 CA GLY A 46 7.977 8.921 -1.290 1.00 0.39 C ATOM 739 C GLY A 46 9.192 9.139 -0.420 1.00 0.41 C ATOM 740 O GLY A 46 10.227 8.512 -0.621 1.00 0.47 O ATOM 0 H GLY A 46 6.091 9.297 -0.476 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.179 8.124 -2.006 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.775 9.824 -1.867 1.00 0.39 H new ATOM 744 N SER A 47 9.064 10.033 0.552 1.00 0.43 N ATOM 745 CA SER A 47 10.130 10.296 1.492 1.00 0.48 C ATOM 746 C SER A 47 9.573 10.444 2.898 1.00 0.51 C ATOM 747 O SER A 47 8.559 11.108 3.095 1.00 0.49 O ATOM 748 CB SER A 47 10.842 11.587 1.101 1.00 0.53 C ATOM 749 OG SER A 47 11.194 11.587 -0.271 1.00 1.23 O ATOM 0 H SER A 47 8.223 10.589 0.705 1.00 0.43 H new ATOM 0 HA SER A 47 10.829 9.460 1.472 1.00 0.48 H new ATOM 0 HB2 SER A 47 10.196 12.439 1.313 1.00 0.53 H new ATOM 0 HB3 SER A 47 11.739 11.708 1.708 1.00 0.53 H new ATOM 0 HG SER A 47 11.234 12.510 -0.599 1.00 1.23 H new ATOM 755 N ALA A 48 10.213 9.813 3.869 1.00 0.62 N ATOM 756 CA ALA A 48 9.922 10.099 5.267 1.00 0.70 C ATOM 757 C ALA A 48 10.506 11.450 5.632 1.00 0.75 C ATOM 758 O ALA A 48 10.058 12.116 6.565 1.00 0.82 O ATOM 759 CB ALA A 48 10.500 9.033 6.175 1.00 0.81 C ATOM 0 H ALA A 48 10.932 9.105 3.719 1.00 0.62 H new ATOM 0 HA ALA A 48 8.840 10.109 5.401 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.267 9.273 7.212 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.068 8.065 5.921 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.582 8.993 6.046 1.00 0.81 H new ATOM 765 N GLU A 49 11.519 11.841 4.872 1.00 0.75 N ATOM 766 CA GLU A 49 12.190 13.109 5.069 1.00 0.83 C ATOM 767 C GLU A 49 11.246 14.249 4.710 1.00 0.82 C ATOM 768 O GLU A 49 11.179 15.266 5.399 1.00 0.93 O ATOM 769 CB GLU A 49 13.445 13.154 4.201 1.00 0.90 C ATOM 770 CG GLU A 49 14.291 14.385 4.425 1.00 1.06 C ATOM 771 CD GLU A 49 14.727 14.525 5.867 1.00 1.48 C ATOM 772 OE1 GLU A 49 15.415 13.618 6.377 1.00 1.99 O ATOM 773 OE2 GLU A 49 14.388 15.548 6.496 1.00 1.96 O ATOM 0 H GLU A 49 11.895 11.286 4.103 1.00 0.75 H new ATOM 0 HA GLU A 49 12.480 13.218 6.114 1.00 0.83 H new ATOM 0 HB2 GLU A 49 14.047 12.268 4.402 1.00 0.90 H new ATOM 0 HB3 GLU A 49 13.153 13.110 3.152 1.00 0.90 H new ATOM 0 HG2 GLU A 49 15.171 14.340 3.784 1.00 1.06 H new ATOM 0 HG3 GLU A 49 13.727 15.270 4.130 1.00 1.06 H new ATOM 780 N SER A 50 10.528 14.067 3.616 1.00 0.74 N ATOM 781 CA SER A 50 9.469 14.976 3.223 1.00 0.79 C ATOM 782 C SER A 50 8.343 14.164 2.610 1.00 0.75 C ATOM 783 O SER A 50 8.439 13.712 1.469 1.00 1.26 O ATOM 784 CB SER A 50 9.990 16.021 2.235 1.00 0.96 C ATOM 785 OG SER A 50 11.121 16.702 2.757 1.00 1.72 O ATOM 0 H SER A 50 10.664 13.285 2.976 1.00 0.74 H new ATOM 0 HA SER A 50 9.100 15.513 4.097 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.256 15.536 1.295 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.201 16.739 2.011 1.00 0.96 H new ATOM 0 HG SER A 50 11.435 17.363 2.105 1.00 1.72 H new ATOM 791 N GLU A 51 7.285 13.964 3.377 1.00 0.78 N ATOM 792 CA GLU A 51 6.235 13.031 2.997 1.00 0.71 C ATOM 793 C GLU A 51 5.448 13.529 1.789 1.00 0.74 C ATOM 794 O GLU A 51 4.677 12.781 1.202 1.00 0.80 O ATOM 795 CB GLU A 51 5.287 12.795 4.171 1.00 0.85 C ATOM 796 CG GLU A 51 5.961 12.187 5.390 1.00 1.46 C ATOM 797 CD GLU A 51 5.090 12.267 6.622 1.00 1.68 C ATOM 798 OE1 GLU A 51 4.936 13.373 7.184 1.00 2.02 O ATOM 799 OE2 GLU A 51 4.552 11.217 7.035 1.00 2.09 O ATOM 0 H GLU A 51 7.129 14.435 4.268 1.00 0.78 H new ATOM 0 HA GLU A 51 6.715 12.092 2.722 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.831 13.744 4.455 1.00 0.85 H new ATOM 0 HB3 GLU A 51 4.480 12.138 3.848 1.00 0.85 H new ATOM 0 HG2 GLU A 51 6.205 11.144 5.186 1.00 1.46 H new ATOM 0 HG3 GLU A 51 6.902 12.703 5.578 1.00 1.46 H new ATOM 806 N GLU A 52 5.657 14.789 1.416 1.00 0.78 N ATOM 807 CA GLU A 52 4.982 15.373 0.257 1.00 0.89 C ATOM 808 C GLU A 52 5.498 14.745 -1.043 1.00 0.78 C ATOM 809 O GLU A 52 4.957 14.981 -2.122 1.00 0.85 O ATOM 810 CB GLU A 52 5.197 16.889 0.238 1.00 1.09 C ATOM 811 CG GLU A 52 4.342 17.628 -0.779 1.00 1.70 C ATOM 812 CD GLU A 52 2.855 17.452 -0.541 1.00 2.16 C ATOM 813 OE1 GLU A 52 2.380 17.785 0.564 1.00 2.83 O ATOM 814 OE2 GLU A 52 2.153 16.978 -1.457 1.00 2.43 O ATOM 0 H GLU A 52 6.289 15.427 1.899 1.00 0.78 H new ATOM 0 HA GLU A 52 3.914 15.167 0.334 1.00 0.89 H new ATOM 0 HB2 GLU A 52 4.986 17.287 1.231 1.00 1.09 H new ATOM 0 HB3 GLU A 52 6.247 17.093 0.029 1.00 1.09 H new ATOM 0 HG2 GLU A 52 4.586 18.690 -0.748 1.00 1.70 H new ATOM 0 HG3 GLU A 52 4.589 17.273 -1.780 1.00 1.70 H new ATOM 821 N TYR A 53 6.550 13.942 -0.931 1.00 0.65 N ATOM 822 CA TYR A 53 7.084 13.216 -2.075 1.00 0.61 C ATOM 823 C TYR A 53 6.312 11.920 -2.301 1.00 0.52 C ATOM 824 O TYR A 53 6.708 11.093 -3.123 1.00 0.52 O ATOM 825 CB TYR A 53 8.566 12.894 -1.868 1.00 0.62 C ATOM 826 CG TYR A 53 9.485 14.091 -1.938 1.00 0.82 C ATOM 827 CD1 TYR A 53 9.516 14.890 -3.068 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.303 14.435 -0.869 1.00 0.83 C ATOM 829 CE1 TYR A 53 10.332 15.996 -3.143 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.124 15.546 -0.931 1.00 1.01 C ATOM 831 CZ TYR A 53 11.216 16.264 -2.065 1.00 1.25 C ATOM 832 OH TYR A 53 11.952 17.436 -2.136 1.00 1.48 O ATOM 0 H TYR A 53 7.050 13.778 -0.057 1.00 0.65 H new ATOM 0 HA TYR A 53 6.976 13.854 -2.952 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.688 12.415 -0.897 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.876 12.170 -2.622 1.00 0.62 H new ATOM 0 HD1 TYR A 53 8.886 14.640 -3.909 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.298 13.826 0.023 1.00 0.83 H new ATOM 0 HE1 TYR A 53 10.300 16.647 -4.004 1.00 1.44 H new ATOM 0 HE2 TYR A 53 11.695 15.839 -0.063 1.00 1.01 H new ATOM 0 HH TYR A 53 12.521 17.513 -1.342 1.00 1.48 H new ATOM 842 N ASP A 54 5.218 11.744 -1.564 1.00 0.52 N ATOM 843 CA ASP A 54 4.408 10.533 -1.661 1.00 0.52 C ATOM 844 C ASP A 54 3.794 10.413 -3.045 1.00 0.57 C ATOM 845 O ASP A 54 3.474 11.417 -3.688 1.00 0.68 O ATOM 846 CB ASP A 54 3.308 10.519 -0.590 1.00 0.65 C ATOM 847 CG ASP A 54 2.242 11.575 -0.813 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.561 12.779 -0.714 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.083 11.213 -1.104 1.00 1.22 O ATOM 0 H ASP A 54 4.871 12.427 -0.891 1.00 0.52 H new ATOM 0 HA ASP A 54 5.061 9.677 -1.491 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.838 9.536 -0.574 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.762 10.671 0.389 1.00 0.65 H new ATOM 854 N GLN A 55 3.655 9.188 -3.516 1.00 0.54 N ATOM 855 CA GLN A 55 3.127 8.963 -4.842 1.00 0.60 C ATOM 856 C GLN A 55 2.207 7.750 -4.873 1.00 0.46 C ATOM 857 O GLN A 55 2.516 6.697 -4.316 1.00 0.57 O ATOM 858 CB GLN A 55 4.266 8.805 -5.869 1.00 0.78 C ATOM 859 CG GLN A 55 5.051 7.497 -5.792 1.00 0.87 C ATOM 860 CD GLN A 55 5.944 7.385 -4.571 1.00 0.88 C ATOM 861 OE1 GLN A 55 5.539 6.872 -3.536 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.172 7.862 -4.687 1.00 0.81 N ATOM 0 H GLN A 55 3.899 8.341 -3.002 1.00 0.54 H new ATOM 0 HA GLN A 55 2.538 9.839 -5.114 1.00 0.60 H new ATOM 0 HB2 GLN A 55 3.843 8.895 -6.870 1.00 0.78 H new ATOM 0 HB3 GLN A 55 4.963 9.633 -5.742 1.00 0.78 H new ATOM 0 HG2 GLN A 55 4.349 6.663 -5.794 1.00 0.87 H new ATOM 0 HG3 GLN A 55 5.664 7.400 -6.688 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.475 8.283 -5.565 1.00 0.81 H new ATOM 0 HE22 GLN A 55 7.816 7.809 -3.898 1.00 0.81 H new ATOM 871 N VAL A 56 1.055 7.925 -5.490 1.00 0.41 N ATOM 872 CA VAL A 56 0.172 6.821 -5.785 1.00 0.37 C ATOM 873 C VAL A 56 0.645 6.118 -7.052 1.00 0.36 C ATOM 874 O VAL A 56 1.008 6.759 -8.042 1.00 0.44 O ATOM 875 CB VAL A 56 -1.294 7.279 -5.942 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.405 8.407 -6.950 1.00 0.80 C ATOM 877 CG2 VAL A 56 -2.181 6.111 -6.342 1.00 1.08 C ATOM 0 H VAL A 56 0.709 8.833 -5.799 1.00 0.41 H new ATOM 0 HA VAL A 56 0.204 6.128 -4.944 1.00 0.37 H new ATOM 0 HB VAL A 56 -1.636 7.654 -4.977 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.448 8.711 -7.042 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -0.808 9.255 -6.614 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -1.039 8.067 -7.919 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -3.210 6.455 -6.447 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.836 5.701 -7.291 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -2.134 5.339 -5.574 1.00 1.08 H new ATOM 887 N LEU A 57 0.670 4.802 -7.003 1.00 0.34 N ATOM 888 CA LEU A 57 1.173 4.011 -8.110 1.00 0.39 C ATOM 889 C LEU A 57 0.037 3.463 -8.958 1.00 0.36 C ATOM 890 O LEU A 57 -0.100 3.801 -10.135 1.00 0.48 O ATOM 891 CB LEU A 57 2.027 2.854 -7.591 1.00 0.44 C ATOM 892 CG LEU A 57 3.371 3.246 -6.973 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.204 3.916 -5.623 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.254 2.031 -6.832 1.00 0.77 C ATOM 0 H LEU A 57 0.347 4.255 -6.205 1.00 0.34 H new ATOM 0 HA LEU A 57 1.785 4.664 -8.732 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.450 2.307 -6.845 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.214 2.166 -8.416 1.00 0.44 H new ATOM 0 HG LEU A 57 3.839 3.965 -7.646 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.184 4.177 -5.222 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.606 4.820 -5.737 1.00 1.05 H new ATOM 0 HD13 LEU A 57 2.702 3.233 -4.938 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.207 2.323 -6.391 1.00 0.77 H new ATOM 0 HD22 LEU A 57 3.766 1.299 -6.189 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.428 1.592 -7.814 1.00 0.77 H new ATOM 906 N ASP A 58 -0.779 2.626 -8.349 1.00 0.31 N ATOM 907 CA ASP A 58 -1.828 1.928 -9.081 1.00 0.35 C ATOM 908 C ASP A 58 -3.149 2.041 -8.334 1.00 0.33 C ATOM 909 O ASP A 58 -3.164 2.248 -7.116 1.00 0.33 O ATOM 910 CB ASP A 58 -1.433 0.457 -9.275 1.00 0.43 C ATOM 911 CG ASP A 58 -2.332 -0.287 -10.248 1.00 0.71 C ATOM 912 OD1 ASP A 58 -3.362 -0.836 -9.804 1.00 1.31 O ATOM 913 OD2 ASP A 58 -2.024 -0.313 -11.458 1.00 0.92 O ATOM 0 H ASP A 58 -0.740 2.410 -7.353 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.951 2.386 -10.062 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.405 0.409 -9.633 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.458 -0.048 -8.310 1.00 0.43 H new ATOM 918 N SER A 59 -4.247 1.923 -9.065 1.00 0.42 N ATOM 919 CA SER A 59 -5.572 2.014 -8.488 1.00 0.43 C ATOM 920 C SER A 59 -6.495 0.984 -9.130 1.00 0.46 C ATOM 921 O SER A 59 -6.678 0.963 -10.348 1.00 0.58 O ATOM 922 CB SER A 59 -6.142 3.430 -8.653 1.00 0.52 C ATOM 923 OG SER A 59 -5.703 4.022 -9.864 1.00 1.09 O ATOM 0 H SER A 59 -4.241 1.762 -10.072 1.00 0.42 H new ATOM 0 HA SER A 59 -5.501 1.802 -7.421 1.00 0.43 H new ATOM 0 HB2 SER A 59 -7.231 3.390 -8.639 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.834 4.049 -7.810 1.00 0.52 H new ATOM 0 HG SER A 59 -6.082 4.922 -9.944 1.00 1.09 H new ATOM 929 N VAL A 60 -7.052 0.122 -8.305 1.00 0.39 N ATOM 930 CA VAL A 60 -7.957 -0.908 -8.772 1.00 0.45 C ATOM 931 C VAL A 60 -9.386 -0.501 -8.459 1.00 0.38 C ATOM 932 O VAL A 60 -9.747 -0.325 -7.302 1.00 0.39 O ATOM 933 CB VAL A 60 -7.648 -2.267 -8.113 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.626 -3.335 -8.579 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.217 -2.689 -8.402 1.00 1.11 C ATOM 0 H VAL A 60 -6.892 0.115 -7.298 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.827 -1.018 -9.849 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.763 -2.152 -7.035 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.385 -4.283 -8.099 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.641 -3.040 -8.312 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.554 -3.447 -9.661 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -6.018 -3.650 -7.928 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -6.075 -2.779 -9.479 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.530 -1.941 -8.006 1.00 1.11 H new ATOM 945 N LEU A 61 -10.185 -0.321 -9.490 1.00 0.40 N ATOM 946 CA LEU A 61 -11.561 0.096 -9.308 1.00 0.39 C ATOM 947 C LEU A 61 -12.507 -0.998 -9.768 1.00 0.38 C ATOM 948 O LEU A 61 -12.340 -1.547 -10.857 1.00 0.57 O ATOM 949 CB LEU A 61 -11.846 1.390 -10.077 1.00 0.51 C ATOM 950 CG LEU A 61 -10.991 2.597 -9.682 1.00 0.62 C ATOM 951 CD1 LEU A 61 -9.651 2.582 -10.402 1.00 1.31 C ATOM 952 CD2 LEU A 61 -11.732 3.888 -9.968 1.00 1.34 C ATOM 0 H LEU A 61 -9.907 -0.457 -10.462 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.721 0.283 -8.246 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.703 1.198 -11.140 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -12.895 1.650 -9.939 1.00 0.51 H new ATOM 0 HG LEU A 61 -10.797 2.535 -8.611 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -9.066 3.451 -10.101 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -9.109 1.673 -10.143 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -9.816 2.611 -11.479 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -11.110 4.736 -9.681 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -11.960 3.949 -11.032 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -12.660 3.909 -9.396 1.00 1.34 H new ATOM 964 N VAL A 62 -13.486 -1.336 -8.939 1.00 0.27 N ATOM 965 CA VAL A 62 -14.488 -2.312 -9.341 1.00 0.27 C ATOM 966 C VAL A 62 -15.850 -1.633 -9.479 1.00 0.26 C ATOM 967 O VAL A 62 -16.493 -1.296 -8.486 1.00 0.30 O ATOM 968 CB VAL A 62 -14.588 -3.463 -8.309 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.601 -4.511 -8.753 1.00 0.72 C ATOM 970 CG2 VAL A 62 -13.225 -4.102 -8.073 1.00 0.59 C ATOM 0 H VAL A 62 -13.607 -0.956 -8.000 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.187 -2.731 -10.301 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.933 -3.036 -7.367 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -15.651 -5.307 -8.010 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.583 -4.048 -8.855 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -15.296 -4.929 -9.712 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -13.322 -4.907 -7.345 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.845 -4.505 -9.012 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.532 -3.351 -7.694 1.00 0.59 H new ATOM 980 N GLY A 63 -16.243 -1.379 -10.715 1.00 0.28 N ATOM 981 CA GLY A 63 -17.553 -0.837 -11.003 1.00 0.33 C ATOM 982 C GLY A 63 -18.503 -1.881 -11.597 1.00 0.36 C ATOM 983 O GLY A 63 -18.265 -2.334 -12.715 1.00 0.42 O ATOM 0 H GLY A 63 -15.665 -1.542 -11.540 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.986 -0.436 -10.087 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.453 -0.004 -11.699 1.00 0.33 H new ATOM 987 N PRO A 64 -19.582 -2.302 -10.915 1.00 0.39 N ATOM 988 CA PRO A 64 -19.858 -2.024 -9.517 1.00 0.39 C ATOM 989 C PRO A 64 -19.449 -3.201 -8.634 1.00 0.38 C ATOM 990 O PRO A 64 -19.162 -4.293 -9.136 1.00 0.41 O ATOM 991 CB PRO A 64 -21.372 -1.852 -9.525 1.00 0.48 C ATOM 992 CG PRO A 64 -21.860 -2.782 -10.592 1.00 0.55 C ATOM 993 CD PRO A 64 -20.689 -3.073 -11.504 1.00 0.48 C ATOM 0 HA PRO A 64 -19.316 -1.165 -9.122 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.803 -2.102 -8.556 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.651 -0.821 -9.742 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.244 -3.703 -10.153 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.679 -2.330 -11.151 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.462 -4.139 -11.535 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.893 -2.761 -12.528 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.404 -2.982 -7.334 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.993 -4.026 -6.411 1.00 0.40 C ATOM 1003 C VAL A 65 -20.215 -4.690 -5.770 1.00 0.41 C ATOM 1004 O VAL A 65 -20.940 -4.061 -5.004 1.00 0.48 O ATOM 1005 CB VAL A 65 -18.068 -3.471 -5.307 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -17.064 -4.528 -4.891 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.355 -2.208 -5.771 1.00 0.95 C ATOM 0 H VAL A 65 -19.646 -2.095 -6.893 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.438 -4.768 -6.985 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.682 -3.208 -4.445 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.416 -4.127 -4.112 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.592 -5.402 -4.510 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.461 -4.816 -5.752 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.711 -1.840 -4.973 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.751 -2.433 -6.650 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -18.092 -1.446 -6.023 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.483 -5.958 -6.105 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.621 -6.694 -5.547 1.00 0.48 C ATOM 1019 C PRO A 66 -21.374 -7.159 -4.116 1.00 0.39 C ATOM 1020 O PRO A 66 -20.235 -7.438 -3.729 1.00 0.33 O ATOM 1021 CB PRO A 66 -21.763 -7.887 -6.488 1.00 0.59 C ATOM 1022 CG PRO A 66 -20.392 -8.114 -7.026 1.00 0.70 C ATOM 1023 CD PRO A 66 -19.713 -6.770 -7.065 1.00 0.46 C ATOM 0 HA PRO A 66 -22.516 -6.075 -5.485 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.131 -8.766 -5.959 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -22.472 -7.677 -7.289 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -19.839 -8.809 -6.394 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -20.435 -8.554 -8.022 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -18.664 -6.843 -6.776 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.739 -6.338 -8.065 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.452 -7.244 -3.338 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.365 -7.637 -1.938 1.00 0.36 C ATOM 1033 C ALA A 67 -21.830 -9.055 -1.801 1.00 0.34 C ATOM 1034 O ALA A 67 -22.392 -10.001 -2.355 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.719 -7.518 -1.257 1.00 0.40 C ATOM 0 H ALA A 67 -23.399 -7.044 -3.659 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.669 -6.958 -1.446 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.629 -7.817 -0.213 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.064 -6.485 -1.310 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.437 -8.166 -1.759 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.745 -9.187 -1.062 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.094 -10.467 -0.899 1.00 0.33 C ATOM 1043 C GLY A 68 -18.632 -10.289 -0.577 1.00 0.27 C ATOM 1044 O GLY A 68 -18.078 -9.209 -0.776 1.00 0.26 O ATOM 0 H GLY A 68 -20.296 -8.418 -0.564 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.581 -11.028 -0.101 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.201 -11.053 -1.812 1.00 0.33 H new ATOM 1048 N ARG A 69 -18.000 -11.329 -0.074 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.597 -11.246 0.286 1.00 0.26 C ATOM 1050 C ARG A 69 -15.720 -11.542 -0.924 1.00 0.26 C ATOM 1051 O ARG A 69 -15.599 -12.688 -1.354 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.269 -12.202 1.421 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.966 -11.876 2.122 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.610 -12.929 3.154 1.00 0.48 C ATOM 1055 NE ARG A 69 -14.472 -14.261 2.568 1.00 1.24 N ATOM 1056 CZ ARG A 69 -14.904 -15.379 3.151 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -15.591 -15.320 4.283 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -14.675 -16.558 2.588 1.00 2.78 N ATOM 0 H ARG A 69 -18.431 -12.238 0.095 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.395 -10.231 0.627 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -17.080 -12.182 2.149 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.218 -13.217 1.028 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.165 -11.801 1.386 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -15.046 -10.903 2.607 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -13.676 -12.652 3.644 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -15.380 -12.953 3.925 1.00 0.48 H new ATOM 0 HE ARG A 69 -14.018 -14.340 1.658 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -15.791 -14.416 4.712 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -15.920 -16.178 4.725 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -14.166 -16.612 1.705 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -15.007 -17.411 3.038 1.00 2.78 H new ATOM 1072 N HIS A 70 -15.118 -10.500 -1.471 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.271 -10.630 -2.645 1.00 0.24 C ATOM 1074 C HIS A 70 -12.805 -10.598 -2.242 1.00 0.25 C ATOM 1075 O HIS A 70 -12.404 -9.796 -1.397 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.551 -9.506 -3.648 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.954 -9.490 -4.175 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.325 -10.100 -5.351 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -17.081 -8.934 -3.674 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.616 -9.921 -5.549 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.101 -9.216 -4.547 1.00 0.47 N ATOM 0 H HIS A 70 -15.201 -9.547 -1.118 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.496 -11.586 -3.118 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.343 -8.548 -3.171 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.861 -9.602 -4.486 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -17.163 -8.372 -2.756 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.182 -10.290 -6.392 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -19.073 -8.928 -4.438 1.00 0.47 H new ATOM 1090 N MET A 71 -12.016 -11.470 -2.841 1.00 0.33 N ATOM 1091 CA MET A 71 -10.591 -11.529 -2.566 1.00 0.38 C ATOM 1092 C MET A 71 -9.804 -11.305 -3.849 1.00 0.38 C ATOM 1093 O MET A 71 -9.640 -12.221 -4.658 1.00 0.48 O ATOM 1094 CB MET A 71 -10.224 -12.880 -1.943 1.00 0.47 C ATOM 1095 CG MET A 71 -8.737 -13.054 -1.673 1.00 0.60 C ATOM 1096 SD MET A 71 -8.347 -14.658 -0.945 1.00 0.80 S ATOM 1097 CE MET A 71 -8.983 -15.764 -2.202 1.00 1.80 C ATOM 0 H MET A 71 -12.340 -12.152 -3.526 1.00 0.33 H new ATOM 0 HA MET A 71 -10.336 -10.742 -1.856 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.769 -12.996 -1.006 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.558 -13.677 -2.607 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.186 -12.939 -2.607 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.398 -12.263 -1.004 1.00 0.60 H new ATOM 0 HE1 MET A 71 -8.521 -16.745 -2.091 1.00 1.80 H new ATOM 0 HE2 MET A 71 -10.063 -15.857 -2.092 1.00 1.80 H new ATOM 0 HE3 MET A 71 -8.752 -15.364 -3.189 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.332 -10.085 -4.047 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.594 -9.751 -5.254 1.00 0.31 C ATOM 1109 C PHE A 72 -7.140 -9.455 -4.919 1.00 0.29 C ATOM 1110 O PHE A 72 -6.803 -9.162 -3.770 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.233 -8.559 -5.989 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.940 -7.211 -5.383 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.663 -6.762 -4.288 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -7.944 -6.399 -5.898 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.401 -5.531 -3.722 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.678 -5.166 -5.334 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.392 -4.717 -4.284 1.00 0.29 C ATOM 0 H PHE A 72 -9.446 -9.313 -3.391 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.632 -10.612 -5.921 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.887 -8.560 -7.023 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.313 -8.703 -6.015 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.442 -7.384 -3.873 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.369 -6.733 -6.749 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.960 -5.194 -2.861 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -6.887 -4.554 -5.741 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.194 -3.738 -3.873 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.288 -9.533 -5.923 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.872 -9.286 -5.739 1.00 0.29 C ATOM 1129 C VAL A 73 -4.502 -7.936 -6.331 1.00 0.30 C ATOM 1130 O VAL A 73 -4.757 -7.668 -7.507 1.00 0.47 O ATOM 1131 CB VAL A 73 -4.009 -10.388 -6.388 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.534 -10.168 -6.093 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.448 -11.762 -5.908 1.00 1.00 C ATOM 0 H VAL A 73 -6.554 -9.767 -6.879 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.673 -9.290 -4.667 1.00 0.29 H new ATOM 0 HB VAL A 73 -4.151 -10.336 -7.467 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -1.947 -10.958 -6.562 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -2.224 -9.202 -6.490 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.372 -10.186 -5.015 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.828 -12.526 -6.376 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.340 -11.821 -4.825 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.491 -11.926 -6.178 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.923 -7.093 -5.502 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.509 -5.763 -5.904 1.00 0.25 C ATOM 1145 C PHE A 74 -2.023 -5.800 -6.237 1.00 0.25 C ATOM 1146 O PHE A 74 -1.221 -6.228 -5.409 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.777 -4.787 -4.754 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.918 -3.347 -5.160 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -3.032 -2.759 -6.048 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.944 -2.576 -4.637 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -3.168 -1.433 -6.403 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -5.079 -1.249 -4.987 1.00 0.44 C ATOM 1153 CZ PHE A 74 -4.191 -0.677 -5.871 1.00 0.31 C ATOM 0 H PHE A 74 -3.725 -7.311 -4.525 1.00 0.26 H new ATOM 0 HA PHE A 74 -4.067 -5.433 -6.780 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.689 -5.095 -4.242 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -2.964 -4.867 -4.033 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -2.227 -3.345 -6.466 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.646 -3.020 -3.947 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -2.473 -0.987 -7.098 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.881 -0.659 -4.568 1.00 0.44 H new ATOM 0 HZ PHE A 74 -4.296 0.362 -6.147 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.656 -5.381 -7.443 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.260 -5.426 -7.865 1.00 0.27 C ATOM 1165 C GLN A 75 0.160 -4.119 -8.524 1.00 0.32 C ATOM 1166 O GLN A 75 -0.439 -3.686 -9.509 1.00 0.41 O ATOM 1167 CB GLN A 75 -0.020 -6.576 -8.846 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.378 -7.951 -8.306 1.00 0.49 C ATOM 1169 CD GLN A 75 -0.218 -9.044 -9.350 1.00 0.52 C ATOM 1170 OE1 GLN A 75 -0.417 -8.696 -10.615 1.00 1.14 O flip ATOM 1171 NE2 GLN A 75 0.078 -10.195 -9.022 1.00 1.12 N flip ATOM 0 H GLN A 75 -2.300 -5.009 -8.141 1.00 0.24 H new ATOM 0 HA GLN A 75 0.339 -5.583 -6.968 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.600 -6.392 -9.750 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.031 -6.576 -9.136 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.255 -8.177 -7.448 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.408 -7.941 -7.949 1.00 0.49 H new ATOM 0 HE21 GLN A 75 0.223 -10.424 -8.039 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.178 -10.919 -9.734 1.00 1.12 H new ATOM 1180 N ALA A 76 1.189 -3.501 -7.977 1.00 0.36 N ATOM 1181 CA ALA A 76 1.781 -2.313 -8.570 1.00 0.46 C ATOM 1182 C ALA A 76 3.280 -2.515 -8.691 1.00 0.40 C ATOM 1183 O ALA A 76 3.837 -3.351 -7.996 1.00 0.48 O ATOM 1184 CB ALA A 76 1.474 -1.081 -7.731 1.00 0.56 C ATOM 0 H ALA A 76 1.638 -3.805 -7.113 1.00 0.36 H new ATOM 0 HA ALA A 76 1.354 -2.154 -9.560 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.927 -0.204 -8.193 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.395 -0.942 -7.669 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.881 -1.213 -6.728 1.00 0.56 H new ATOM 1190 N ASP A 77 3.935 -1.774 -9.568 1.00 0.56 N ATOM 1191 CA ASP A 77 5.382 -1.903 -9.720 1.00 0.61 C ATOM 1192 C ASP A 77 6.079 -1.119 -8.610 1.00 0.43 C ATOM 1193 O ASP A 77 5.426 -0.665 -7.675 1.00 0.47 O ATOM 1194 CB ASP A 77 5.826 -1.397 -11.097 1.00 0.95 C ATOM 1195 CG ASP A 77 7.117 -2.043 -11.570 1.00 1.54 C ATOM 1196 OD1 ASP A 77 8.207 -1.602 -11.151 1.00 2.06 O ATOM 1197 OD2 ASP A 77 7.043 -3.002 -12.363 1.00 2.13 O ATOM 0 H ASP A 77 3.499 -1.084 -10.180 1.00 0.56 H new ATOM 0 HA ASP A 77 5.658 -2.955 -9.644 1.00 0.61 H new ATOM 0 HB2 ASP A 77 5.038 -1.595 -11.824 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.959 -0.316 -11.057 1.00 0.95 H new ATOM 1202 N ALA A 78 7.390 -0.956 -8.704 1.00 0.45 N ATOM 1203 CA ALA A 78 8.131 -0.200 -7.712 1.00 0.36 C ATOM 1204 C ALA A 78 7.813 1.287 -7.840 1.00 0.37 C ATOM 1205 O ALA A 78 7.504 1.769 -8.935 1.00 0.46 O ATOM 1206 CB ALA A 78 9.625 -0.447 -7.874 1.00 0.40 C ATOM 0 H ALA A 78 7.961 -1.338 -9.458 1.00 0.45 H new ATOM 0 HA ALA A 78 7.833 -0.531 -6.717 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.172 0.125 -7.125 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.834 -1.509 -7.744 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.940 -0.134 -8.870 1.00 0.40 H new ATOM 1212 N PRO A 79 7.875 2.035 -6.727 1.00 0.34 N ATOM 1213 CA PRO A 79 7.620 3.476 -6.735 1.00 0.43 C ATOM 1214 C PRO A 79 8.691 4.215 -7.529 1.00 0.41 C ATOM 1215 O PRO A 79 9.745 3.649 -7.828 1.00 0.47 O ATOM 1216 CB PRO A 79 7.689 3.868 -5.257 1.00 0.47 C ATOM 1217 CG PRO A 79 8.502 2.801 -4.615 1.00 0.53 C ATOM 1218 CD PRO A 79 8.218 1.542 -5.384 1.00 0.33 C ATOM 0 HA PRO A 79 6.667 3.728 -7.200 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.151 4.847 -5.129 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.694 3.925 -4.817 1.00 0.47 H new ATOM 0 HG2 PRO A 79 9.563 3.047 -4.648 1.00 0.53 H new ATOM 0 HG3 PRO A 79 8.234 2.685 -3.565 1.00 0.53 H new ATOM 0 HD2 PRO A 79 9.084 0.881 -5.407 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.398 0.977 -4.941 1.00 0.33 H new ATOM 1226 N ASN A 80 8.415 5.462 -7.887 1.00 0.43 N ATOM 1227 CA ASN A 80 9.388 6.289 -8.593 1.00 0.46 C ATOM 1228 C ASN A 80 10.662 6.427 -7.759 1.00 0.40 C ATOM 1229 O ASN A 80 10.649 7.053 -6.697 1.00 0.39 O ATOM 1230 CB ASN A 80 8.793 7.671 -8.885 1.00 0.56 C ATOM 1231 CG ASN A 80 9.630 8.498 -9.848 1.00 1.33 C ATOM 1232 OD1 ASN A 80 10.855 8.384 -9.895 1.00 2.19 O ATOM 1233 ND2 ASN A 80 8.968 9.345 -10.621 1.00 1.59 N ATOM 0 H ASN A 80 7.525 5.924 -7.701 1.00 0.43 H new ATOM 0 HA ASN A 80 9.638 5.809 -9.539 1.00 0.46 H new ATOM 0 HB2 ASN A 80 7.792 7.547 -9.299 1.00 0.56 H new ATOM 0 HB3 ASN A 80 8.685 8.217 -7.948 1.00 0.56 H new ATOM 0 HD21 ASN A 80 9.474 9.932 -11.285 1.00 1.59 H new ATOM 0 HD22 ASN A 80 7.952 9.411 -10.553 1.00 1.59 H new ATOM 1240 N PRO A 81 11.779 5.846 -8.233 1.00 0.41 N ATOM 1241 CA PRO A 81 13.048 5.826 -7.497 1.00 0.41 C ATOM 1242 C PRO A 81 13.667 7.211 -7.369 1.00 0.43 C ATOM 1243 O PRO A 81 14.597 7.414 -6.592 1.00 0.48 O ATOM 1244 CB PRO A 81 13.954 4.913 -8.336 1.00 0.47 C ATOM 1245 CG PRO A 81 13.045 4.220 -9.295 1.00 0.54 C ATOM 1246 CD PRO A 81 11.900 5.159 -9.527 1.00 0.48 C ATOM 0 HA PRO A 81 12.908 5.477 -6.474 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.713 5.491 -8.863 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.480 4.196 -7.706 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.561 3.995 -10.229 1.00 0.54 H new ATOM 0 HG3 PRO A 81 12.696 3.272 -8.887 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.107 5.857 -10.338 1.00 0.48 H new ATOM 0 HD3 PRO A 81 10.986 4.626 -9.790 1.00 0.48 H new ATOM 1254 N GLY A 82 13.142 8.163 -8.126 1.00 0.45 N ATOM 1255 CA GLY A 82 13.631 9.518 -8.047 1.00 0.49 C ATOM 1256 C GLY A 82 12.937 10.288 -6.948 1.00 0.48 C ATOM 1257 O GLY A 82 13.349 11.392 -6.592 1.00 0.51 O ATOM 0 H GLY A 82 12.385 8.018 -8.794 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.706 9.509 -7.865 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.473 10.020 -9.001 1.00 0.49 H new ATOM 1261 N LEU A 83 11.875 9.699 -6.413 1.00 0.46 N ATOM 1262 CA LEU A 83 11.119 10.322 -5.340 1.00 0.49 C ATOM 1263 C LEU A 83 11.565 9.799 -3.981 1.00 0.46 C ATOM 1264 O LEU A 83 11.331 10.444 -2.959 1.00 0.52 O ATOM 1265 CB LEU A 83 9.617 10.094 -5.529 1.00 0.52 C ATOM 1266 CG LEU A 83 8.894 11.146 -6.377 1.00 0.58 C ATOM 1267 CD1 LEU A 83 9.486 11.236 -7.774 1.00 1.60 C ATOM 1268 CD2 LEU A 83 7.410 10.835 -6.450 1.00 1.34 C ATOM 0 H LEU A 83 11.519 8.789 -6.707 1.00 0.46 H new ATOM 0 HA LEU A 83 11.314 11.394 -5.375 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.470 9.117 -5.990 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.146 10.057 -4.547 1.00 0.52 H new ATOM 0 HG LEU A 83 9.029 12.114 -5.895 1.00 0.58 H new ATOM 0 HD11 LEU A 83 8.950 11.991 -8.348 1.00 1.60 H new ATOM 0 HD12 LEU A 83 10.539 11.511 -7.706 1.00 1.60 H new ATOM 0 HD13 LEU A 83 9.395 10.270 -8.271 1.00 1.60 H new ATOM 0 HD21 LEU A 83 6.909 11.591 -7.055 1.00 1.34 H new ATOM 0 HD22 LEU A 83 7.266 9.854 -6.902 1.00 1.34 H new ATOM 0 HD23 LEU A 83 6.988 10.837 -5.445 1.00 1.34 H new ATOM 1280 N ILE A 84 12.207 8.635 -3.968 1.00 0.41 N ATOM 1281 CA ILE A 84 12.719 8.076 -2.730 1.00 0.40 C ATOM 1282 C ILE A 84 14.055 8.734 -2.374 1.00 0.46 C ATOM 1283 O ILE A 84 14.996 8.720 -3.166 1.00 0.52 O ATOM 1284 CB ILE A 84 12.877 6.543 -2.826 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.560 5.913 -3.289 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.297 5.966 -1.481 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.620 4.406 -3.432 1.00 0.33 C ATOM 0 H ILE A 84 12.382 8.067 -4.797 1.00 0.41 H new ATOM 0 HA ILE A 84 11.998 8.282 -1.939 1.00 0.40 H new ATOM 0 HB ILE A 84 13.655 6.314 -3.555 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.775 6.170 -2.578 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.277 6.349 -4.247 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.404 4.885 -1.566 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.249 6.402 -1.179 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.539 6.198 -0.733 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.651 4.033 -3.763 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.381 4.140 -4.166 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.872 3.959 -2.470 1.00 0.33 H new ATOM 1299 N PRO A 85 14.136 9.330 -1.175 1.00 0.48 N ATOM 1300 CA PRO A 85 15.281 10.138 -0.756 1.00 0.57 C ATOM 1301 C PRO A 85 16.476 9.298 -0.326 1.00 0.56 C ATOM 1302 O PRO A 85 16.323 8.158 0.108 1.00 0.55 O ATOM 1303 CB PRO A 85 14.726 10.928 0.425 1.00 0.68 C ATOM 1304 CG PRO A 85 13.691 10.037 1.016 1.00 0.81 C ATOM 1305 CD PRO A 85 13.121 9.231 -0.117 1.00 0.50 C ATOM 0 HA PRO A 85 15.663 10.756 -1.568 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.507 11.163 1.148 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.296 11.876 0.101 1.00 0.68 H new ATOM 0 HG2 PRO A 85 14.127 9.386 1.774 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.912 10.620 1.507 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.951 8.195 0.177 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.162 9.630 -0.447 1.00 0.50 H new ATOM 1313 N ASP A 86 17.658 9.892 -0.417 1.00 0.67 N ATOM 1314 CA ASP A 86 18.913 9.203 -0.123 1.00 0.76 C ATOM 1315 C ASP A 86 18.897 8.564 1.261 1.00 0.78 C ATOM 1316 O ASP A 86 19.094 7.358 1.409 1.00 0.86 O ATOM 1317 CB ASP A 86 20.082 10.187 -0.202 1.00 0.98 C ATOM 1318 CG ASP A 86 20.088 10.983 -1.486 1.00 1.52 C ATOM 1319 OD1 ASP A 86 20.494 10.441 -2.527 1.00 1.92 O ATOM 1320 OD2 ASP A 86 19.680 12.163 -1.461 1.00 2.29 O ATOM 0 H ASP A 86 17.777 10.866 -0.697 1.00 0.67 H new ATOM 0 HA ASP A 86 19.032 8.414 -0.866 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.033 10.872 0.645 1.00 0.98 H new ATOM 0 HB3 ASP A 86 21.020 9.638 -0.115 1.00 0.98 H new ATOM 1325 N ALA A 87 18.634 9.383 2.270 1.00 0.83 N ATOM 1326 CA ALA A 87 18.750 8.955 3.657 1.00 0.99 C ATOM 1327 C ALA A 87 17.558 8.122 4.117 1.00 0.90 C ATOM 1328 O ALA A 87 17.593 7.534 5.198 1.00 1.07 O ATOM 1329 CB ALA A 87 18.925 10.167 4.559 1.00 1.25 C ATOM 0 H ALA A 87 18.338 10.352 2.153 1.00 0.83 H new ATOM 0 HA ALA A 87 19.629 8.314 3.725 1.00 0.99 H new ATOM 0 HB1 ALA A 87 19.011 9.840 5.595 1.00 1.25 H new ATOM 0 HB2 ALA A 87 19.828 10.706 4.272 1.00 1.25 H new ATOM 0 HB3 ALA A 87 18.062 10.824 4.457 1.00 1.25 H new ATOM 1335 N ASP A 88 16.500 8.067 3.317 1.00 0.76 N ATOM 1336 CA ASP A 88 15.314 7.321 3.717 1.00 0.78 C ATOM 1337 C ASP A 88 15.141 6.049 2.887 1.00 0.62 C ATOM 1338 O ASP A 88 14.430 5.130 3.287 1.00 0.64 O ATOM 1339 CB ASP A 88 14.085 8.213 3.611 1.00 0.99 C ATOM 1340 CG ASP A 88 12.834 7.560 4.143 1.00 1.41 C ATOM 1341 OD1 ASP A 88 12.894 6.964 5.238 1.00 1.68 O ATOM 1342 OD2 ASP A 88 11.784 7.665 3.477 1.00 1.94 O ATOM 0 H ASP A 88 16.438 8.520 2.405 1.00 0.76 H new ATOM 0 HA ASP A 88 15.439 7.010 4.754 1.00 0.78 H new ATOM 0 HB2 ASP A 88 14.266 9.138 4.158 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.930 8.486 2.567 1.00 0.99 H new ATOM 1347 N ALA A 89 15.807 5.992 1.736 1.00 0.54 N ATOM 1348 CA ALA A 89 15.770 4.803 0.888 1.00 0.49 C ATOM 1349 C ALA A 89 16.374 3.609 1.614 1.00 0.44 C ATOM 1350 O ALA A 89 15.906 2.483 1.482 1.00 0.51 O ATOM 1351 CB ALA A 89 16.509 5.053 -0.418 1.00 0.48 C ATOM 0 H ALA A 89 16.378 6.754 1.370 1.00 0.54 H new ATOM 0 HA ALA A 89 14.728 4.580 0.660 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.470 4.156 -1.036 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.039 5.880 -0.950 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.549 5.303 -0.206 1.00 0.48 H new ATOM 1357 N VAL A 90 17.411 3.871 2.394 1.00 0.41 N ATOM 1358 CA VAL A 90 18.067 2.834 3.179 1.00 0.43 C ATOM 1359 C VAL A 90 17.339 2.673 4.523 1.00 0.43 C ATOM 1360 O VAL A 90 17.959 2.503 5.573 1.00 0.49 O ATOM 1361 CB VAL A 90 19.550 3.189 3.436 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.328 1.969 3.912 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.188 3.778 2.188 1.00 0.54 C ATOM 0 H VAL A 90 17.820 4.799 2.501 1.00 0.41 H new ATOM 0 HA VAL A 90 18.028 1.900 2.619 1.00 0.43 H new ATOM 0 HB VAL A 90 19.583 3.941 4.225 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.368 2.246 4.085 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.892 1.598 4.839 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.282 1.189 3.152 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.231 4.020 2.392 1.00 0.54 H new ATOM 0 HG22 VAL A 90 20.136 3.053 1.376 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.655 4.684 1.900 1.00 0.54 H new ATOM 1373 N GLY A 91 16.014 2.736 4.486 1.00 0.42 N ATOM 1374 CA GLY A 91 15.239 2.759 5.711 1.00 0.46 C ATOM 1375 C GLY A 91 13.840 2.207 5.531 1.00 0.43 C ATOM 1376 O GLY A 91 13.573 1.463 4.589 1.00 0.62 O ATOM 0 H GLY A 91 15.462 2.772 3.629 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.758 2.180 6.475 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.176 3.784 6.077 1.00 0.46 H new ATOM 1380 N VAL A 92 12.935 2.584 6.420 1.00 0.40 N ATOM 1381 CA VAL A 92 11.587 2.034 6.407 1.00 0.38 C ATOM 1382 C VAL A 92 10.567 3.056 5.896 1.00 0.36 C ATOM 1383 O VAL A 92 10.362 4.112 6.493 1.00 0.55 O ATOM 1384 CB VAL A 92 11.176 1.509 7.808 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.348 2.583 8.874 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.745 0.989 7.795 1.00 1.23 C ATOM 0 H VAL A 92 13.108 3.267 7.158 1.00 0.40 H new ATOM 0 HA VAL A 92 11.593 1.190 5.717 1.00 0.38 H new ATOM 0 HB VAL A 92 11.839 0.681 8.058 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.052 2.184 9.844 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.392 2.893 8.913 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.723 3.442 8.629 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.481 0.627 8.788 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.068 1.794 7.510 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.661 0.173 7.077 1.00 1.23 H new ATOM 1396 N THR A 93 9.947 2.737 4.772 1.00 0.28 N ATOM 1397 CA THR A 93 8.904 3.564 4.203 1.00 0.28 C ATOM 1398 C THR A 93 7.553 2.894 4.407 1.00 0.27 C ATOM 1399 O THR A 93 7.484 1.718 4.766 1.00 0.41 O ATOM 1400 CB THR A 93 9.138 3.804 2.700 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.283 3.060 2.255 1.00 0.63 O ATOM 1402 CG2 THR A 93 9.347 5.282 2.410 1.00 0.59 C ATOM 0 H THR A 93 10.155 1.898 4.231 1.00 0.28 H new ATOM 0 HA THR A 93 8.921 4.529 4.709 1.00 0.28 H new ATOM 0 HB THR A 93 8.252 3.467 2.162 1.00 0.35 H new ATOM 0 HG1 THR A 93 10.056 2.568 1.438 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.510 5.424 1.342 1.00 0.59 H new ATOM 0 HG22 THR A 93 8.465 5.842 2.720 1.00 0.59 H new ATOM 0 HG23 THR A 93 10.216 5.641 2.960 1.00 0.59 H new ATOM 1410 N VAL A 94 6.481 3.629 4.197 1.00 0.25 N ATOM 1411 CA VAL A 94 5.154 3.069 4.373 1.00 0.25 C ATOM 1412 C VAL A 94 4.442 2.965 3.029 1.00 0.24 C ATOM 1413 O VAL A 94 4.598 3.828 2.163 1.00 0.28 O ATOM 1414 CB VAL A 94 4.303 3.920 5.344 1.00 0.30 C ATOM 1415 CG1 VAL A 94 3.020 3.199 5.723 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.100 4.287 6.589 1.00 0.32 C ATOM 0 H VAL A 94 6.499 4.607 3.907 1.00 0.25 H new ATOM 0 HA VAL A 94 5.272 2.074 4.803 1.00 0.25 H new ATOM 0 HB VAL A 94 4.033 4.842 4.828 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.442 3.821 6.406 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.433 3.004 4.825 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.264 2.255 6.210 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.479 4.885 7.255 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.412 3.378 7.103 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.981 4.861 6.301 1.00 0.32 H new ATOM 1426 N VAL A 95 3.697 1.894 2.843 1.00 0.22 N ATOM 1427 CA VAL A 95 2.852 1.753 1.675 1.00 0.22 C ATOM 1428 C VAL A 95 1.396 1.760 2.115 1.00 0.24 C ATOM 1429 O VAL A 95 0.960 0.897 2.879 1.00 0.34 O ATOM 1430 CB VAL A 95 3.184 0.478 0.856 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.179 -0.770 1.726 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.219 0.325 -0.310 1.00 0.60 C ATOM 0 H VAL A 95 3.660 1.106 3.489 1.00 0.22 H new ATOM 0 HA VAL A 95 3.039 2.596 1.010 1.00 0.22 H new ATOM 0 HB VAL A 95 4.193 0.595 0.461 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.416 -1.641 1.115 1.00 0.54 H new ATOM 0 HG12 VAL A 95 3.924 -0.667 2.515 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.193 -0.898 2.173 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.468 -0.575 -0.873 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.200 0.246 0.069 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.297 1.194 -0.963 1.00 0.60 H new ATOM 1442 N LEU A 96 0.662 2.764 1.674 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.703 2.941 2.120 1.00 0.26 C ATOM 1444 C LEU A 96 -1.680 2.436 1.084 1.00 0.24 C ATOM 1445 O LEU A 96 -1.546 2.710 -0.109 1.00 0.38 O ATOM 1446 CB LEU A 96 -1.003 4.409 2.396 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.016 5.126 3.317 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -0.272 6.624 3.300 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.128 4.588 4.734 1.00 1.21 C ATOM 0 H LEU A 96 0.988 3.466 1.010 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.816 2.367 3.040 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.034 4.939 1.444 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -1.998 4.481 2.834 1.00 0.44 H new ATOM 0 HG LEU A 96 0.995 4.941 2.954 1.00 0.61 H new ATOM 0 HD11 LEU A 96 0.438 7.122 3.960 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -0.151 7.002 2.285 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.287 6.824 3.643 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.581 5.108 5.378 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -1.140 4.748 5.105 1.00 1.21 H new ATOM 0 HD23 LEU A 96 0.095 3.521 4.737 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.659 1.703 1.554 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.770 1.288 0.724 1.00 0.24 C ATOM 1463 C ILE A 97 -5.009 2.056 1.136 1.00 0.26 C ATOM 1464 O ILE A 97 -5.620 1.764 2.167 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.040 -0.227 0.820 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.806 -1.016 0.374 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.251 -0.603 -0.023 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.000 -2.516 0.406 1.00 0.30 C ATOM 0 H ILE A 97 -2.711 1.377 2.519 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.512 1.504 -0.313 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.253 -0.479 1.859 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.539 -0.714 -0.639 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -1.966 -0.753 1.017 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.429 -1.675 0.055 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.127 -0.063 0.337 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -5.065 -0.341 -1.064 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.085 -3.008 0.077 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.236 -2.831 1.422 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.819 -2.791 -0.259 1.00 0.30 H new ATOM 1480 N THR A 98 -5.340 3.069 0.361 1.00 0.29 N ATOM 1481 CA THR A 98 -6.506 3.874 0.635 1.00 0.33 C ATOM 1482 C THR A 98 -7.644 3.459 -0.282 1.00 0.28 C ATOM 1483 O THR A 98 -7.424 3.080 -1.435 1.00 0.37 O ATOM 1484 CB THR A 98 -6.211 5.377 0.461 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.809 5.652 -0.885 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.120 5.834 1.417 1.00 1.07 C ATOM 0 H THR A 98 -4.814 3.352 -0.466 1.00 0.29 H new ATOM 0 HA THR A 98 -6.793 3.709 1.674 1.00 0.33 H new ATOM 0 HB THR A 98 -7.126 5.924 0.687 1.00 0.43 H new ATOM 0 HG1 THR A 98 -6.428 6.297 -1.286 1.00 1.42 H new ATOM 0 HG21 THR A 98 -4.932 6.898 1.273 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.439 5.658 2.444 1.00 1.07 H new ATOM 0 HG23 THR A 98 -4.206 5.274 1.220 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.851 3.491 0.240 1.00 0.28 N ATOM 1495 CA CYS A 99 -10.012 3.112 -0.539 1.00 0.29 C ATOM 1496 C CYS A 99 -10.977 4.281 -0.660 1.00 0.31 C ATOM 1497 O CYS A 99 -11.602 4.690 0.320 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.694 1.915 0.106 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.566 0.555 0.467 1.00 1.32 S ATOM 0 H CYS A 99 -9.055 3.775 1.198 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.692 2.835 -1.543 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.173 2.235 1.031 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.483 1.557 -0.555 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.922 -0.496 -0.211 1.00 1.32 H new ATOM 1505 N THR A 100 -11.079 4.820 -1.863 1.00 0.34 N ATOM 1506 CA THR A 100 -11.918 5.973 -2.126 1.00 0.38 C ATOM 1507 C THR A 100 -13.343 5.547 -2.480 1.00 0.37 C ATOM 1508 O THR A 100 -13.555 4.776 -3.418 1.00 0.41 O ATOM 1509 CB THR A 100 -11.344 6.806 -3.293 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.925 6.961 -3.140 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.999 8.178 -3.353 1.00 0.50 C ATOM 0 H THR A 100 -10.583 4.470 -2.683 1.00 0.34 H new ATOM 0 HA THR A 100 -11.939 6.575 -1.218 1.00 0.38 H new ATOM 0 HB THR A 100 -11.554 6.275 -4.222 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.468 6.572 -3.915 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.578 8.746 -4.183 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.073 8.062 -3.500 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.816 8.710 -2.419 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.313 6.028 -1.712 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.713 5.827 -2.046 1.00 0.40 C ATOM 1521 C TYR A 101 -16.461 7.151 -1.944 1.00 0.44 C ATOM 1522 O TYR A 101 -16.413 7.819 -0.912 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.347 4.780 -1.130 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.795 4.493 -1.446 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -18.170 4.028 -2.699 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.786 4.679 -0.490 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.491 3.759 -2.994 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.109 4.410 -0.777 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.456 3.951 -2.030 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.775 3.685 -2.318 1.00 0.65 O ATOM 0 H TYR A 101 -14.154 6.559 -0.856 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.779 5.459 -3.070 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.778 3.853 -1.204 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.270 5.120 -0.097 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -17.415 3.874 -3.456 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.517 5.039 0.492 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -19.767 3.400 -3.975 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -20.869 4.558 -0.024 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.326 3.872 -1.529 1.00 0.65 H new ATOM 1540 N ARG A 102 -17.127 7.540 -3.030 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.869 8.801 -3.092 1.00 0.59 C ATOM 1542 C ARG A 102 -16.935 10.000 -2.919 1.00 0.57 C ATOM 1543 O ARG A 102 -17.375 11.091 -2.552 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.976 8.838 -2.026 1.00 0.65 C ATOM 1545 CG ARG A 102 -20.022 7.744 -2.185 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.811 7.898 -3.478 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.571 9.145 -3.505 1.00 1.26 N ATOM 1548 CZ ARG A 102 -21.483 10.069 -4.467 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -20.708 9.867 -5.526 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -22.181 11.194 -4.375 1.00 2.45 N ATOM 0 H ARG A 102 -17.168 6.993 -3.890 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.330 8.863 -4.078 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.520 8.751 -1.040 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.471 9.808 -2.064 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.534 6.770 -2.171 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.706 7.769 -1.337 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -20.127 7.871 -4.326 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -21.492 7.055 -3.591 1.00 0.86 H new ATOM 0 HE ARG A 102 -22.215 9.324 -2.735 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -20.174 9.002 -5.610 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -20.646 10.577 -6.256 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -22.786 11.355 -3.569 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -22.113 11.898 -5.110 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.649 9.797 -3.195 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.678 10.869 -3.057 1.00 0.53 C ATOM 1566 C GLY A 103 -14.127 10.951 -1.649 1.00 0.49 C ATOM 1567 O GLY A 103 -13.362 11.854 -1.317 1.00 0.57 O ATOM 0 H GLY A 103 -15.262 8.908 -3.512 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.859 10.710 -3.759 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -15.145 11.818 -3.321 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.528 10.001 -0.821 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.101 9.953 0.567 1.00 0.44 C ATOM 1573 C GLN A 104 -13.467 8.599 0.866 1.00 0.37 C ATOM 1574 O GLN A 104 -14.069 7.555 0.616 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.304 10.206 1.479 1.00 0.51 C ATOM 1576 CG GLN A 104 -15.916 11.585 1.288 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.095 11.845 2.203 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -17.349 12.984 2.593 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -17.826 10.797 2.549 1.00 0.98 N ATOM 0 H GLN A 104 -15.156 9.244 -1.091 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.356 10.727 0.750 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.064 9.448 1.288 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -14.995 10.093 2.518 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.152 12.342 1.465 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.237 11.693 0.252 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.582 9.869 2.204 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.633 10.918 3.161 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.248 8.614 1.373 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.541 7.378 1.662 1.00 0.32 C ATOM 1590 C GLU A 105 -11.818 6.939 3.094 1.00 0.32 C ATOM 1591 O GLU A 105 -11.644 7.712 4.035 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.046 7.553 1.390 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.767 7.942 -0.058 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.292 8.044 -0.389 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -7.592 8.857 0.241 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.837 7.327 -1.311 1.00 1.59 O ATOM 0 H GLU A 105 -11.728 9.464 1.593 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.902 6.587 1.004 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.645 8.318 2.054 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.525 6.624 1.622 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -10.228 7.207 -0.718 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.244 8.900 -0.266 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.270 5.699 3.239 1.00 0.26 N ATOM 1604 CA PHE A 106 -12.784 5.201 4.515 1.00 0.27 C ATOM 1605 C PHE A 106 -11.780 4.323 5.255 1.00 0.26 C ATOM 1606 O PHE A 106 -12.005 3.939 6.400 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.073 4.413 4.278 1.00 0.27 C ATOM 1608 CG PHE A 106 -13.973 3.401 3.168 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.527 2.117 3.429 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.317 3.733 1.864 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.424 1.184 2.418 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.214 2.801 0.847 1.00 0.29 C ATOM 1613 CZ PHE A 106 -13.812 1.543 1.107 1.00 0.31 C ATOM 0 H PHE A 106 -12.292 5.013 2.484 1.00 0.26 H new ATOM 0 HA PHE A 106 -12.977 6.071 5.143 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.349 3.901 5.200 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -14.878 5.112 4.048 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.256 1.842 4.438 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.669 4.730 1.642 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -13.052 0.192 2.626 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.459 3.086 -0.166 1.00 0.29 H new ATOM 0 HZ PHE A 106 -13.786 0.809 0.315 1.00 0.31 H new ATOM 1623 N ILE A 107 -10.691 3.986 4.602 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.668 3.168 5.223 1.00 0.24 C ATOM 1625 C ILE A 107 -8.320 3.440 4.578 1.00 0.22 C ATOM 1626 O ILE A 107 -8.235 3.743 3.384 1.00 0.25 O ATOM 1627 CB ILE A 107 -9.997 1.655 5.152 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.049 0.856 6.060 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -9.926 1.149 3.720 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.192 -0.653 5.926 1.00 0.37 C ATOM 0 H ILE A 107 -10.489 4.264 3.642 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.632 3.441 6.278 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.017 1.511 5.508 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.021 1.135 5.830 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.232 1.138 7.097 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.161 0.085 3.698 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.645 1.692 3.106 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -8.921 1.307 3.328 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.490 -1.146 6.598 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.209 -0.946 6.185 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -8.979 -0.949 4.899 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.282 3.368 5.384 1.00 0.23 N ATOM 1643 CA ARG A 108 -5.928 3.521 4.918 1.00 0.24 C ATOM 1644 C ARG A 108 -5.036 2.496 5.602 1.00 0.24 C ATOM 1645 O ARG A 108 -4.762 2.601 6.801 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.439 4.926 5.229 1.00 0.29 C ATOM 1647 CG ARG A 108 -3.992 5.162 4.865 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.481 6.421 5.526 1.00 0.58 C ATOM 1649 NE ARG A 108 -3.604 6.354 6.984 1.00 0.60 N ATOM 1650 CZ ARG A 108 -2.977 7.191 7.817 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -2.236 8.181 7.334 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.090 7.046 9.129 1.00 0.95 N ATOM 0 H ARG A 108 -7.359 3.200 6.387 1.00 0.23 H new ATOM 0 HA ARG A 108 -5.893 3.362 3.840 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.060 5.644 4.694 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.573 5.120 6.293 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.388 4.309 5.176 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -3.892 5.245 3.783 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.437 6.576 5.255 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.038 7.280 5.153 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.200 5.630 7.385 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -2.144 8.304 6.326 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -1.759 8.818 7.971 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -3.659 6.291 9.512 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -2.608 7.689 9.757 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.615 1.496 4.852 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.751 0.460 5.389 1.00 0.22 C ATOM 1668 C VAL A 109 -2.293 0.895 5.332 1.00 0.24 C ATOM 1669 O VAL A 109 -1.735 1.071 4.252 1.00 0.38 O ATOM 1670 CB VAL A 109 -3.915 -0.869 4.625 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.019 -1.937 5.223 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.369 -1.318 4.633 1.00 0.27 C ATOM 0 H VAL A 109 -4.857 1.378 3.868 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.045 0.302 6.427 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.616 -0.710 3.589 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.147 -2.869 4.672 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -1.979 -1.617 5.159 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.287 -2.093 6.268 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.463 -2.258 4.089 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.700 -1.460 5.662 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -5.987 -0.558 4.154 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.696 1.085 6.498 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.301 1.463 6.575 1.00 0.25 C ATOM 1684 C GLY A 110 0.606 0.267 6.768 1.00 0.21 C ATOM 1685 O GLY A 110 0.757 -0.232 7.884 1.00 0.27 O ATOM 0 H GLY A 110 -2.159 0.983 7.401 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.018 1.988 5.663 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.160 2.160 7.401 1.00 0.25 H new ATOM 1689 N TYR A 111 1.189 -0.210 5.682 1.00 0.23 N ATOM 1690 CA TYR A 111 2.152 -1.299 5.747 1.00 0.24 C ATOM 1691 C TYR A 111 3.568 -0.757 5.737 1.00 0.23 C ATOM 1692 O TYR A 111 3.953 -0.018 4.832 1.00 0.27 O ATOM 1693 CB TYR A 111 1.960 -2.271 4.584 1.00 0.32 C ATOM 1694 CG TYR A 111 0.879 -3.292 4.825 1.00 0.27 C ATOM 1695 CD1 TYR A 111 0.860 -4.057 5.982 1.00 0.29 C ATOM 1696 CD2 TYR A 111 -0.136 -3.480 3.895 1.00 0.30 C ATOM 1697 CE1 TYR A 111 -0.140 -4.985 6.204 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -1.138 -4.401 4.110 1.00 0.32 C ATOM 1699 CZ TYR A 111 -1.092 -5.195 5.274 1.00 0.33 C ATOM 1700 OH TYR A 111 -2.137 -6.063 5.486 1.00 0.40 O ATOM 0 H TYR A 111 1.012 0.140 4.740 1.00 0.23 H new ATOM 0 HA TYR A 111 1.984 -1.838 6.679 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.720 -1.705 3.684 1.00 0.32 H new ATOM 0 HB3 TYR A 111 2.901 -2.788 4.394 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.638 -3.926 6.720 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.140 -2.894 2.988 1.00 0.30 H new ATOM 0 HE1 TYR A 111 -0.158 -5.545 7.128 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.944 -4.513 3.400 1.00 0.32 H new ATOM 0 HH TYR A 111 -2.194 -6.279 6.440 1.00 0.40 H new ATOM 1710 N TYR A 112 4.341 -1.122 6.740 1.00 0.25 N ATOM 1711 CA TYR A 112 5.700 -0.631 6.857 1.00 0.25 C ATOM 1712 C TYR A 112 6.662 -1.556 6.135 1.00 0.27 C ATOM 1713 O TYR A 112 6.835 -2.713 6.516 1.00 0.33 O ATOM 1714 CB TYR A 112 6.106 -0.501 8.323 1.00 0.29 C ATOM 1715 CG TYR A 112 5.188 0.392 9.123 1.00 0.37 C ATOM 1716 CD1 TYR A 112 5.417 1.759 9.201 1.00 0.48 C ATOM 1717 CD2 TYR A 112 4.096 -0.131 9.802 1.00 0.50 C ATOM 1718 CE1 TYR A 112 4.584 2.578 9.935 1.00 0.60 C ATOM 1719 CE2 TYR A 112 3.258 0.682 10.537 1.00 0.62 C ATOM 1720 CZ TYR A 112 3.496 2.037 10.586 1.00 0.64 C ATOM 1721 OH TYR A 112 2.674 2.848 11.334 1.00 0.78 O ATOM 0 H TYR A 112 4.052 -1.756 7.485 1.00 0.25 H new ATOM 0 HA TYR A 112 5.743 0.356 6.396 1.00 0.25 H new ATOM 0 HB2 TYR A 112 6.123 -1.492 8.777 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.121 -0.108 8.378 1.00 0.29 H new ATOM 0 HD1 TYR A 112 6.260 2.188 8.679 1.00 0.48 H new ATOM 0 HD2 TYR A 112 3.899 -1.192 9.754 1.00 0.50 H new ATOM 0 HE1 TYR A 112 4.783 3.638 9.999 1.00 0.60 H new ATOM 0 HE2 TYR A 112 2.420 0.258 11.071 1.00 0.62 H new ATOM 0 HH TYR A 112 2.672 3.751 10.954 1.00 0.78 H new ATOM 1731 N VAL A 113 7.273 -1.052 5.083 1.00 0.27 N ATOM 1732 CA VAL A 113 8.282 -1.805 4.375 1.00 0.31 C ATOM 1733 C VAL A 113 9.662 -1.334 4.783 1.00 0.28 C ATOM 1734 O VAL A 113 10.006 -0.158 4.654 1.00 0.31 O ATOM 1735 CB VAL A 113 8.133 -1.712 2.844 1.00 0.42 C ATOM 1736 CG1 VAL A 113 7.973 -0.271 2.391 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.337 -2.355 2.170 1.00 1.19 C ATOM 0 H VAL A 113 7.087 -0.125 4.701 1.00 0.27 H new ATOM 0 HA VAL A 113 8.146 -2.851 4.649 1.00 0.31 H new ATOM 0 HB VAL A 113 7.231 -2.249 2.553 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.870 -0.240 1.306 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.084 0.159 2.852 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.850 0.304 2.689 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.227 -2.287 1.088 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.245 -1.836 2.476 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.401 -3.403 2.463 1.00 1.19 H new ATOM 1747 N ASN A 114 10.442 -2.258 5.289 1.00 0.29 N ATOM 1748 CA ASN A 114 11.786 -1.957 5.721 1.00 0.32 C ATOM 1749 C ASN A 114 12.765 -2.286 4.606 1.00 0.32 C ATOM 1750 O ASN A 114 12.829 -3.425 4.140 1.00 0.35 O ATOM 1751 CB ASN A 114 12.107 -2.738 6.994 1.00 0.42 C ATOM 1752 CG ASN A 114 13.464 -2.396 7.569 1.00 0.84 C ATOM 1753 OD1 ASN A 114 13.974 -1.291 7.385 1.00 1.63 O ATOM 1754 ND2 ASN A 114 14.039 -3.332 8.298 1.00 1.28 N ATOM 0 H ASN A 114 10.167 -3.232 5.413 1.00 0.29 H new ATOM 0 HA ASN A 114 11.873 -0.894 5.948 1.00 0.32 H new ATOM 0 HB2 ASN A 114 11.340 -2.535 7.741 1.00 0.42 H new ATOM 0 HB3 ASN A 114 12.068 -3.806 6.779 1.00 0.42 H new ATOM 0 HD21 ASN A 114 14.943 -3.154 8.736 1.00 1.28 H new ATOM 0 HD22 ASN A 114 13.580 -4.234 8.424 1.00 1.28 H new ATOM 1761 N ASN A 115 13.497 -1.278 4.158 1.00 0.34 N ATOM 1762 CA ASN A 115 14.386 -1.432 3.019 1.00 0.39 C ATOM 1763 C ASN A 115 15.837 -1.405 3.468 1.00 0.43 C ATOM 1764 O ASN A 115 16.339 -0.388 3.946 1.00 0.50 O ATOM 1765 CB ASN A 115 14.150 -0.329 1.985 1.00 0.48 C ATOM 1766 CG ASN A 115 12.699 -0.208 1.558 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.254 -0.857 0.610 1.00 0.95 O ATOM 1768 ND2 ASN A 115 11.954 0.636 2.253 1.00 0.60 N ATOM 0 H ASN A 115 13.492 -0.344 4.567 1.00 0.34 H new ATOM 0 HA ASN A 115 14.170 -2.396 2.558 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.481 0.624 2.398 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.765 -0.526 1.107 1.00 0.48 H new ATOM 0 HD21 ASN A 115 10.972 0.768 2.011 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.362 1.154 3.031 1.00 0.60 H new ATOM 1775 N GLU A 116 16.497 -2.534 3.302 1.00 0.42 N ATOM 1776 CA GLU A 116 17.902 -2.676 3.644 1.00 0.50 C ATOM 1777 C GLU A 116 18.604 -3.452 2.545 1.00 0.45 C ATOM 1778 O GLU A 116 18.022 -4.363 1.964 1.00 0.54 O ATOM 1779 CB GLU A 116 18.075 -3.400 4.987 1.00 0.69 C ATOM 1780 CG GLU A 116 17.604 -2.598 6.192 1.00 1.26 C ATOM 1781 CD GLU A 116 17.900 -3.291 7.509 1.00 1.58 C ATOM 1782 OE1 GLU A 116 19.078 -3.607 7.775 1.00 1.97 O ATOM 1783 OE2 GLU A 116 16.952 -3.519 8.293 1.00 1.87 O ATOM 0 H GLU A 116 16.074 -3.382 2.925 1.00 0.42 H new ATOM 0 HA GLU A 116 18.341 -1.683 3.739 1.00 0.50 H new ATOM 0 HB2 GLU A 116 17.526 -4.341 4.953 1.00 0.69 H new ATOM 0 HB3 GLU A 116 19.128 -3.650 5.120 1.00 0.69 H new ATOM 0 HG2 GLU A 116 18.087 -1.621 6.184 1.00 1.26 H new ATOM 0 HG3 GLU A 116 16.531 -2.424 6.111 1.00 1.26 H new ATOM 1790 N TYR A 117 19.835 -3.072 2.233 1.00 0.46 N ATOM 1791 CA TYR A 117 20.603 -3.753 1.207 1.00 0.46 C ATOM 1792 C TYR A 117 20.734 -5.237 1.517 1.00 0.52 C ATOM 1793 O TYR A 117 20.794 -5.639 2.676 1.00 0.60 O ATOM 1794 CB TYR A 117 21.993 -3.138 1.087 1.00 0.48 C ATOM 1795 CG TYR A 117 21.987 -1.674 0.714 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.685 -1.273 -0.576 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.293 -0.696 1.651 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.690 0.057 -0.928 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.302 0.639 1.305 1.00 0.59 C ATOM 1800 CZ TYR A 117 21.999 1.009 0.015 1.00 0.60 C ATOM 1801 OH TYR A 117 22.009 2.335 -0.336 1.00 0.69 O ATOM 0 H TYR A 117 20.322 -2.294 2.678 1.00 0.46 H new ATOM 0 HA TYR A 117 20.071 -3.636 0.263 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.516 -3.258 2.036 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.560 -3.691 0.338 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.441 -2.017 -1.319 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.527 -0.985 2.665 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.453 0.352 -1.939 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.545 1.390 2.042 1.00 0.59 H new ATOM 0 HH TYR A 117 22.246 2.878 0.445 1.00 0.69 H new ATOM 1811 N THR A 118 20.797 -6.040 0.475 1.00 0.54 N ATOM 1812 CA THR A 118 20.943 -7.474 0.629 1.00 0.65 C ATOM 1813 C THR A 118 22.411 -7.805 0.740 1.00 0.74 C ATOM 1814 O THR A 118 22.808 -8.758 1.406 1.00 0.84 O ATOM 1815 CB THR A 118 20.325 -8.236 -0.557 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.482 -7.470 -1.759 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.854 -8.524 -0.316 1.00 0.77 C ATOM 0 H THR A 118 20.749 -5.722 -0.493 1.00 0.54 H new ATOM 0 HA THR A 118 20.414 -7.783 1.531 1.00 0.65 H new ATOM 0 HB THR A 118 20.845 -9.189 -0.660 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.089 -7.959 -2.512 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.444 -9.063 -1.170 1.00 0.77 H new ATOM 0 HG22 THR A 118 18.745 -9.131 0.583 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.316 -7.585 -0.187 1.00 0.77 H new ATOM 1825 N GLU A 119 23.216 -6.982 0.097 1.00 0.78 N ATOM 1826 CA GLU A 119 24.648 -7.088 0.217 1.00 0.92 C ATOM 1827 C GLU A 119 25.044 -6.644 1.613 1.00 0.95 C ATOM 1828 O GLU A 119 24.891 -5.471 1.956 1.00 0.90 O ATOM 1829 CB GLU A 119 25.333 -6.221 -0.833 1.00 1.00 C ATOM 1830 CG GLU A 119 24.861 -6.514 -2.246 1.00 1.29 C ATOM 1831 CD GLU A 119 25.212 -7.913 -2.707 1.00 1.50 C ATOM 1832 OE1 GLU A 119 26.352 -8.119 -3.171 1.00 1.67 O ATOM 1833 OE2 GLU A 119 24.346 -8.809 -2.625 1.00 2.24 O ATOM 0 H GLU A 119 22.896 -6.231 -0.515 1.00 0.78 H new ATOM 0 HA GLU A 119 24.961 -8.119 0.054 1.00 0.92 H new ATOM 0 HB2 GLU A 119 25.149 -5.171 -0.605 1.00 1.00 H new ATOM 0 HB3 GLU A 119 26.411 -6.375 -0.777 1.00 1.00 H new ATOM 0 HG2 GLU A 119 23.780 -6.380 -2.298 1.00 1.29 H new ATOM 0 HG3 GLU A 119 25.305 -5.790 -2.929 1.00 1.29 H new ATOM 1840 N THR A 120 25.511 -7.583 2.423 1.00 1.07 N ATOM 1841 CA THR A 120 25.854 -7.312 3.813 1.00 1.14 C ATOM 1842 C THR A 120 26.821 -6.132 3.910 1.00 1.12 C ATOM 1843 O THR A 120 26.712 -5.292 4.800 1.00 1.13 O ATOM 1844 CB THR A 120 26.490 -8.554 4.464 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.758 -9.728 4.084 1.00 1.36 O ATOM 1846 CG2 THR A 120 26.496 -8.431 5.980 1.00 1.41 C ATOM 0 H THR A 120 25.663 -8.550 2.138 1.00 1.07 H new ATOM 0 HA THR A 120 24.935 -7.062 4.343 1.00 1.14 H new ATOM 0 HB THR A 120 27.521 -8.632 4.118 1.00 1.31 H new ATOM 0 HG1 THR A 120 26.166 -10.517 4.499 1.00 1.36 H new ATOM 0 HG21 THR A 120 26.950 -9.321 6.415 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.070 -7.551 6.271 1.00 1.41 H new ATOM 0 HG23 THR A 120 25.472 -8.333 6.341 1.00 1.41 H new ATOM 1854 N GLU A 121 27.734 -6.059 2.955 1.00 1.13 N ATOM 1855 CA GLU A 121 28.710 -4.984 2.896 1.00 1.14 C ATOM 1856 C GLU A 121 28.040 -3.626 2.683 1.00 1.03 C ATOM 1857 O GLU A 121 28.493 -2.616 3.221 1.00 1.09 O ATOM 1858 CB GLU A 121 29.709 -5.263 1.781 1.00 1.18 C ATOM 1859 CG GLU A 121 30.762 -4.188 1.612 1.00 1.27 C ATOM 1860 CD GLU A 121 31.787 -4.556 0.569 1.00 1.56 C ATOM 1861 OE1 GLU A 121 31.428 -5.259 -0.398 1.00 2.05 O ATOM 1862 OE2 GLU A 121 32.954 -4.143 0.705 1.00 2.21 O ATOM 0 H GLU A 121 27.819 -6.741 2.201 1.00 1.13 H new ATOM 0 HA GLU A 121 29.232 -4.944 3.852 1.00 1.14 H new ATOM 0 HB2 GLU A 121 30.204 -6.213 1.981 1.00 1.18 H new ATOM 0 HB3 GLU A 121 29.167 -5.377 0.842 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.281 -3.251 1.332 1.00 1.27 H new ATOM 0 HG3 GLU A 121 31.261 -4.017 2.566 1.00 1.27 H new ATOM 1869 N LEU A 122 26.944 -3.593 1.925 1.00 0.90 N ATOM 1870 CA LEU A 122 26.275 -2.330 1.662 1.00 0.82 C ATOM 1871 C LEU A 122 25.420 -1.934 2.854 1.00 0.82 C ATOM 1872 O LEU A 122 25.065 -0.770 3.016 1.00 0.83 O ATOM 1873 CB LEU A 122 25.431 -2.411 0.392 1.00 0.75 C ATOM 1874 CG LEU A 122 26.230 -2.606 -0.898 1.00 0.82 C ATOM 1875 CD1 LEU A 122 25.299 -2.650 -2.098 1.00 0.88 C ATOM 1876 CD2 LEU A 122 27.263 -1.499 -1.064 1.00 0.87 C ATOM 0 H LEU A 122 26.512 -4.410 1.493 1.00 0.90 H new ATOM 0 HA LEU A 122 27.034 -1.563 1.507 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.725 -3.235 0.494 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.843 -1.497 0.304 1.00 0.75 H new ATOM 0 HG LEU A 122 26.757 -3.558 -0.834 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.884 -2.789 -3.007 1.00 0.88 H new ATOM 0 HD12 LEU A 122 24.600 -3.479 -1.986 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.745 -1.714 -2.163 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.820 -1.657 -1.987 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.758 -0.534 -1.105 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.951 -1.513 -0.218 1.00 0.87 H new ATOM 1888 N ARG A 123 25.102 -2.916 3.694 1.00 0.86 N ATOM 1889 CA ARG A 123 24.412 -2.651 4.949 1.00 0.94 C ATOM 1890 C ARG A 123 25.386 -1.971 5.902 1.00 1.11 C ATOM 1891 O ARG A 123 25.003 -1.152 6.737 1.00 1.19 O ATOM 1892 CB ARG A 123 23.908 -3.954 5.587 1.00 0.98 C ATOM 1893 CG ARG A 123 23.267 -4.926 4.608 1.00 0.89 C ATOM 1894 CD ARG A 123 22.853 -6.213 5.308 1.00 1.00 C ATOM 1895 NE ARG A 123 22.582 -7.303 4.373 1.00 1.20 N ATOM 1896 CZ ARG A 123 21.895 -8.400 4.691 1.00 1.56 C ATOM 1897 NH1 ARG A 123 21.349 -8.523 5.897 1.00 1.82 N ATOM 1898 NH2 ARG A 123 21.747 -9.372 3.801 1.00 2.03 N ATOM 0 H ARG A 123 25.312 -3.900 3.527 1.00 0.86 H new ATOM 0 HA ARG A 123 23.552 -2.011 4.752 1.00 0.94 H new ATOM 0 HB2 ARG A 123 24.744 -4.451 6.078 1.00 0.98 H new ATOM 0 HB3 ARG A 123 23.183 -3.708 6.363 1.00 0.98 H new ATOM 0 HG2 ARG A 123 22.395 -4.462 4.148 1.00 0.89 H new ATOM 0 HG3 ARG A 123 23.968 -5.154 3.805 1.00 0.89 H new ATOM 0 HD2 ARG A 123 23.642 -6.518 5.995 1.00 1.00 H new ATOM 0 HD3 ARG A 123 21.963 -6.025 5.908 1.00 1.00 H new ATOM 0 HE ARG A 123 22.940 -7.219 3.421 1.00 1.20 H new ATOM 0 HH11 ARG A 123 21.455 -7.776 6.583 1.00 1.82 H new ATOM 0 HH12 ARG A 123 20.824 -9.364 6.136 1.00 1.82 H new ATOM 0 HH21 ARG A 123 22.159 -9.280 2.872 1.00 2.03 H new ATOM 0 HH22 ARG A 123 21.221 -10.211 4.045 1.00 2.03 H new ATOM 1912 N GLU A 124 26.657 -2.326 5.748 1.00 1.20 N ATOM 1913 CA GLU A 124 27.727 -1.777 6.563 1.00 1.39 C ATOM 1914 C GLU A 124 28.002 -0.325 6.197 1.00 1.37 C ATOM 1915 O GLU A 124 28.067 0.543 7.070 1.00 1.49 O ATOM 1916 CB GLU A 124 28.999 -2.603 6.381 1.00 1.53 C ATOM 1917 CG GLU A 124 28.877 -4.036 6.868 1.00 1.66 C ATOM 1918 CD GLU A 124 28.732 -4.131 8.369 1.00 2.03 C ATOM 1919 OE1 GLU A 124 29.756 -4.024 9.073 1.00 2.84 O ATOM 1920 OE2 GLU A 124 27.599 -4.312 8.855 1.00 2.06 O ATOM 0 H GLU A 124 26.971 -3.003 5.053 1.00 1.20 H new ATOM 0 HA GLU A 124 27.413 -1.817 7.606 1.00 1.39 H new ATOM 0 HB2 GLU A 124 29.268 -2.610 5.325 1.00 1.53 H new ATOM 0 HB3 GLU A 124 29.816 -2.117 6.914 1.00 1.53 H new ATOM 0 HG2 GLU A 124 28.015 -4.505 6.393 1.00 1.66 H new ATOM 0 HG3 GLU A 124 29.757 -4.598 6.556 1.00 1.66 H new ATOM 1927 N ASN A 125 28.165 -0.056 4.909 1.00 1.27 N ATOM 1928 CA ASN A 125 28.466 1.293 4.462 1.00 1.30 C ATOM 1929 C ASN A 125 27.521 1.740 3.351 1.00 1.14 C ATOM 1930 O ASN A 125 27.818 1.598 2.166 1.00 1.10 O ATOM 1931 CB ASN A 125 29.939 1.423 4.027 1.00 1.45 C ATOM 1932 CG ASN A 125 30.393 0.352 3.042 1.00 1.58 C ATOM 1933 OD1 ASN A 125 30.285 0.512 1.827 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.932 -0.740 3.564 1.00 1.62 N ATOM 0 H ASN A 125 28.094 -0.748 4.163 1.00 1.27 H new ATOM 0 HA ASN A 125 28.310 1.959 5.311 1.00 1.30 H new ATOM 0 HB2 ASN A 125 30.088 2.404 3.575 1.00 1.45 H new ATOM 0 HB3 ASN A 125 30.573 1.380 4.912 1.00 1.45 H new ATOM 0 HD21 ASN A 125 31.274 -1.482 2.953 1.00 1.62 H new ATOM 0 HD22 ASN A 125 31.005 -0.839 4.577 1.00 1.62 H new ATOM 1941 N PRO A 126 26.339 2.253 3.727 1.00 1.13 N ATOM 1942 CA PRO A 126 25.413 2.873 2.778 1.00 1.06 C ATOM 1943 C PRO A 126 26.082 4.008 2.013 1.00 1.09 C ATOM 1944 O PRO A 126 26.555 4.976 2.609 1.00 1.19 O ATOM 1945 CB PRO A 126 24.289 3.413 3.663 1.00 1.15 C ATOM 1946 CG PRO A 126 24.344 2.573 4.891 1.00 1.23 C ATOM 1947 CD PRO A 126 25.797 2.245 5.097 1.00 1.24 C ATOM 0 HA PRO A 126 25.062 2.170 2.022 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.439 4.467 3.896 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.321 3.331 3.169 1.00 1.15 H new ATOM 0 HG2 PRO A 126 23.938 3.108 5.750 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.751 1.666 4.771 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.291 2.982 5.730 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.927 1.275 5.576 1.00 1.24 H new ATOM 1955 N PRO A 127 26.173 3.877 0.688 1.00 1.05 N ATOM 1956 CA PRO A 127 26.799 4.887 -0.171 1.00 1.13 C ATOM 1957 C PRO A 127 25.991 6.182 -0.203 1.00 1.19 C ATOM 1958 O PRO A 127 24.818 6.191 0.176 1.00 1.14 O ATOM 1959 CB PRO A 127 26.823 4.214 -1.551 1.00 1.11 C ATOM 1960 CG PRO A 127 26.600 2.764 -1.275 1.00 1.01 C ATOM 1961 CD PRO A 127 25.693 2.730 -0.089 1.00 0.97 C ATOM 0 HA PRO A 127 27.788 5.180 0.180 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.046 4.617 -2.201 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.776 4.378 -2.054 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.148 2.264 -2.132 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.540 2.253 -1.067 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.646 2.837 -0.372 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.780 1.795 0.465 1.00 0.97 H new ATOM 1969 N VAL A 128 26.619 7.268 -0.656 1.00 1.34 N ATOM 1970 CA VAL A 128 25.971 8.582 -0.688 1.00 1.44 C ATOM 1971 C VAL A 128 24.685 8.534 -1.514 1.00 1.22 C ATOM 1972 O VAL A 128 23.715 9.234 -1.223 1.00 1.28 O ATOM 1973 CB VAL A 128 26.925 9.671 -1.241 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.383 9.341 -2.654 1.00 1.92 C ATOM 1975 CG2 VAL A 128 26.272 11.043 -1.191 1.00 2.16 C ATOM 0 H VAL A 128 27.577 7.264 -1.006 1.00 1.34 H new ATOM 0 HA VAL A 128 25.717 8.846 0.338 1.00 1.44 H new ATOM 0 HB VAL A 128 27.808 9.691 -0.602 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.051 10.125 -3.012 1.00 1.92 H new ATOM 0 HG12 VAL A 128 27.911 8.387 -2.652 1.00 1.92 H new ATOM 0 HG13 VAL A 128 26.516 9.274 -3.311 1.00 1.92 H new ATOM 0 HG21 VAL A 128 26.962 11.789 -1.585 1.00 2.16 H new ATOM 0 HG22 VAL A 128 25.364 11.036 -1.793 1.00 2.16 H new ATOM 0 HG23 VAL A 128 26.021 11.289 -0.159 1.00 2.16 H new ATOM 1985 N LYS A 129 24.688 7.692 -2.535 1.00 1.07 N ATOM 1986 CA LYS A 129 23.498 7.433 -3.321 1.00 0.88 C ATOM 1987 C LYS A 129 23.076 5.986 -3.133 1.00 0.76 C ATOM 1988 O LYS A 129 23.817 5.068 -3.499 1.00 0.80 O ATOM 1989 CB LYS A 129 23.743 7.736 -4.802 1.00 1.00 C ATOM 1990 CG LYS A 129 23.805 9.222 -5.106 1.00 1.12 C ATOM 1991 CD LYS A 129 22.472 9.887 -4.814 1.00 1.29 C ATOM 1992 CE LYS A 129 22.570 11.401 -4.861 1.00 1.46 C ATOM 1993 NZ LYS A 129 21.304 12.045 -4.428 1.00 1.96 N ATOM 0 H LYS A 129 25.512 7.173 -2.839 1.00 1.07 H new ATOM 0 HA LYS A 129 22.698 8.089 -2.978 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.678 7.269 -5.112 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.948 7.283 -5.395 1.00 1.00 H new ATOM 0 HG2 LYS A 129 24.588 9.688 -4.508 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.071 9.373 -6.152 1.00 1.12 H new ATOM 0 HD2 LYS A 129 21.732 9.549 -5.539 1.00 1.29 H new ATOM 0 HD3 LYS A 129 22.120 9.577 -3.830 1.00 1.29 H new ATOM 0 HE2 LYS A 129 23.386 11.733 -4.219 1.00 1.46 H new ATOM 0 HE3 LYS A 129 22.812 11.719 -5.875 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 21.520 12.915 -3.900 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 20.731 12.280 -5.263 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 20.774 11.392 -3.817 1.00 1.96 H new ATOM 2007 N PRO A 130 21.901 5.767 -2.524 1.00 0.66 N ATOM 2008 CA PRO A 130 21.384 4.426 -2.260 1.00 0.57 C ATOM 2009 C PRO A 130 21.268 3.590 -3.524 1.00 0.52 C ATOM 2010 O PRO A 130 21.043 4.112 -4.620 1.00 0.64 O ATOM 2011 CB PRO A 130 20.000 4.670 -1.650 1.00 0.55 C ATOM 2012 CG PRO A 130 19.667 6.082 -1.995 1.00 0.64 C ATOM 2013 CD PRO A 130 20.981 6.805 -2.038 1.00 0.71 C ATOM 0 HA PRO A 130 22.051 3.865 -1.606 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.262 3.980 -2.058 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.013 4.520 -0.570 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.155 6.141 -2.955 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.002 6.521 -1.252 1.00 0.64 H new ATOM 0 HD2 PRO A 130 20.949 7.665 -2.708 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.272 7.177 -1.055 1.00 0.71 H new ATOM 2021 N ASP A 131 21.414 2.290 -3.368 1.00 0.45 N ATOM 2022 CA ASP A 131 21.415 1.393 -4.513 1.00 0.45 C ATOM 2023 C ASP A 131 20.143 0.560 -4.508 1.00 0.39 C ATOM 2024 O ASP A 131 20.046 -0.452 -3.813 1.00 0.39 O ATOM 2025 CB ASP A 131 22.661 0.500 -4.504 1.00 0.53 C ATOM 2026 CG ASP A 131 23.133 0.148 -5.904 1.00 0.82 C ATOM 2027 OD1 ASP A 131 22.801 0.882 -6.857 1.00 1.06 O ATOM 2028 OD2 ASP A 131 23.823 -0.880 -6.063 1.00 1.28 O ATOM 0 H ASP A 131 21.533 1.830 -2.466 1.00 0.45 H new ATOM 0 HA ASP A 131 21.443 1.984 -5.429 1.00 0.45 H new ATOM 0 HB2 ASP A 131 23.464 1.008 -3.970 1.00 0.53 H new ATOM 0 HB3 ASP A 131 22.443 -0.417 -3.956 1.00 0.53 H new ATOM 2033 N PHE A 132 19.162 1.016 -5.275 1.00 0.38 N ATOM 2034 CA PHE A 132 17.819 0.441 -5.258 1.00 0.35 C ATOM 2035 C PHE A 132 17.808 -0.998 -5.773 1.00 0.37 C ATOM 2036 O PHE A 132 16.926 -1.782 -5.429 1.00 0.38 O ATOM 2037 CB PHE A 132 16.868 1.312 -6.088 1.00 0.38 C ATOM 2038 CG PHE A 132 16.660 2.695 -5.524 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.642 3.668 -5.646 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.480 3.024 -4.873 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.450 4.935 -5.130 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.284 4.290 -4.356 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.278 5.247 -4.482 1.00 0.46 C ATOM 0 H PHE A 132 19.272 1.793 -5.926 1.00 0.38 H new ATOM 0 HA PHE A 132 17.479 0.418 -4.223 1.00 0.35 H new ATOM 0 HB2 PHE A 132 17.261 1.398 -7.101 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.903 0.811 -6.162 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.567 3.432 -6.150 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.704 2.280 -4.769 1.00 0.35 H new ATOM 0 HE1 PHE A 132 18.222 5.682 -5.236 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.359 4.533 -3.855 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.133 6.236 -4.072 1.00 0.46 H new ATOM 2053 N SER A 133 18.799 -1.345 -6.577 1.00 0.42 N ATOM 2054 CA SER A 133 18.906 -2.689 -7.135 1.00 0.47 C ATOM 2055 C SER A 133 19.498 -3.677 -6.127 1.00 0.48 C ATOM 2056 O SER A 133 19.505 -4.886 -6.358 1.00 0.62 O ATOM 2057 CB SER A 133 19.762 -2.640 -8.393 1.00 0.54 C ATOM 2058 OG SER A 133 20.911 -1.841 -8.181 1.00 1.46 O ATOM 0 H SER A 133 19.547 -0.712 -6.861 1.00 0.42 H new ATOM 0 HA SER A 133 17.904 -3.041 -7.381 1.00 0.47 H new ATOM 0 HB2 SER A 133 20.061 -3.649 -8.676 1.00 0.54 H new ATOM 0 HB3 SER A 133 19.179 -2.236 -9.221 1.00 0.54 H new ATOM 0 HG SER A 133 21.451 -1.821 -8.998 1.00 1.46 H new ATOM 2064 N LYS A 134 19.983 -3.159 -5.005 1.00 0.40 N ATOM 2065 CA LYS A 134 20.586 -3.991 -3.971 1.00 0.43 C ATOM 2066 C LYS A 134 19.679 -4.005 -2.771 1.00 0.39 C ATOM 2067 O LYS A 134 19.864 -4.771 -1.828 1.00 0.46 O ATOM 2068 CB LYS A 134 21.937 -3.426 -3.548 1.00 0.48 C ATOM 2069 CG LYS A 134 22.904 -3.237 -4.697 1.00 0.65 C ATOM 2070 CD LYS A 134 23.273 -4.541 -5.376 1.00 0.78 C ATOM 2071 CE LYS A 134 23.947 -4.276 -6.714 1.00 1.00 C ATOM 2072 NZ LYS A 134 25.027 -3.255 -6.609 1.00 1.87 N ATOM 0 H LYS A 134 19.970 -2.163 -4.788 1.00 0.40 H new ATOM 0 HA LYS A 134 20.727 -4.997 -4.366 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.781 -2.467 -3.054 1.00 0.48 H new ATOM 0 HB3 LYS A 134 22.386 -4.094 -2.813 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.462 -2.563 -5.431 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.810 -2.756 -4.328 1.00 0.65 H new ATOM 0 HD2 LYS A 134 23.941 -5.115 -4.734 1.00 0.78 H new ATOM 0 HD3 LYS A 134 22.378 -5.145 -5.527 1.00 0.78 H new ATOM 0 HE2 LYS A 134 24.365 -5.206 -7.098 1.00 1.00 H new ATOM 0 HE3 LYS A 134 23.201 -3.940 -7.434 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 25.669 -3.344 -7.422 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 24.606 -2.304 -6.603 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 25.560 -3.403 -5.729 1.00 1.87 H new ATOM 2086 N LEU A 135 18.696 -3.136 -2.829 1.00 0.41 N ATOM 2087 CA LEU A 135 17.830 -2.883 -1.711 1.00 0.40 C ATOM 2088 C LEU A 135 16.776 -3.971 -1.599 1.00 0.41 C ATOM 2089 O LEU A 135 16.158 -4.354 -2.591 1.00 0.46 O ATOM 2090 CB LEU A 135 17.185 -1.515 -1.889 1.00 0.41 C ATOM 2091 CG LEU A 135 16.612 -0.900 -0.628 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.718 -0.678 0.393 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.908 0.406 -0.956 1.00 0.74 C ATOM 0 H LEU A 135 18.477 -2.585 -3.659 1.00 0.41 H new ATOM 0 HA LEU A 135 18.409 -2.890 -0.787 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.928 -0.832 -2.301 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.387 -1.601 -2.627 1.00 0.41 H new ATOM 0 HG LEU A 135 15.880 -1.584 -0.198 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.296 -0.236 1.296 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.183 -1.633 0.640 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.468 -0.006 -0.024 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.500 0.839 -0.043 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.620 1.101 -1.401 1.00 0.74 H new ATOM 0 HD23 LEU A 135 15.098 0.216 -1.660 1.00 0.74 H new ATOM 2105 N GLN A 136 16.608 -4.488 -0.400 1.00 0.40 N ATOM 2106 CA GLN A 136 15.631 -5.524 -0.136 1.00 0.41 C ATOM 2107 C GLN A 136 14.405 -4.915 0.524 1.00 0.38 C ATOM 2108 O GLN A 136 14.521 -4.137 1.468 1.00 0.44 O ATOM 2109 CB GLN A 136 16.257 -6.600 0.754 1.00 0.46 C ATOM 2110 CG GLN A 136 15.308 -7.702 1.189 1.00 0.58 C ATOM 2111 CD GLN A 136 15.004 -7.653 2.675 1.00 0.79 C ATOM 2112 OE1 GLN A 136 14.979 -6.587 3.284 1.00 1.63 O ATOM 2113 NE2 GLN A 136 14.788 -8.813 3.272 1.00 0.72 N ATOM 0 H GLN A 136 17.145 -4.202 0.419 1.00 0.40 H new ATOM 0 HA GLN A 136 15.320 -5.988 -1.072 1.00 0.41 H new ATOM 0 HB2 GLN A 136 17.094 -7.051 0.220 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.667 -6.122 1.643 1.00 0.46 H new ATOM 0 HG2 GLN A 136 14.377 -7.618 0.628 1.00 0.58 H new ATOM 0 HG3 GLN A 136 15.743 -8.670 0.942 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.817 -9.678 2.732 1.00 0.72 H new ATOM 0 HE22 GLN A 136 14.592 -8.843 4.273 1.00 0.72 H new ATOM 2122 N ARG A 137 13.240 -5.240 -0.003 1.00 0.36 N ATOM 2123 CA ARG A 137 11.995 -4.761 0.555 1.00 0.35 C ATOM 2124 C ARG A 137 11.394 -5.796 1.484 1.00 0.35 C ATOM 2125 O ARG A 137 10.836 -6.798 1.028 1.00 0.39 O ATOM 2126 CB ARG A 137 10.989 -4.452 -0.551 1.00 0.43 C ATOM 2127 CG ARG A 137 11.364 -3.270 -1.420 1.00 1.02 C ATOM 2128 CD ARG A 137 10.238 -2.934 -2.383 1.00 1.29 C ATOM 2129 NE ARG A 137 8.947 -2.906 -1.700 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.475 -1.835 -1.065 1.00 1.85 C ATOM 2131 NH1 ARG A 137 9.197 -0.716 -1.021 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.298 -1.888 -0.457 1.00 2.05 N ATOM 0 H ARG A 137 13.132 -5.838 -0.822 1.00 0.36 H new ATOM 0 HA ARG A 137 12.213 -3.850 1.113 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.879 -5.333 -1.183 1.00 0.43 H new ATOM 0 HB3 ARG A 137 10.016 -4.261 -0.098 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.583 -2.406 -0.793 1.00 1.02 H new ATOM 0 HG3 ARG A 137 12.272 -3.496 -1.979 1.00 1.02 H new ATOM 0 HD2 ARG A 137 10.429 -1.965 -2.845 1.00 1.29 H new ATOM 0 HD3 ARG A 137 10.211 -3.671 -3.186 1.00 1.29 H new ATOM 0 HE ARG A 137 8.377 -3.752 -1.710 1.00 1.00 H new ATOM 0 HH11 ARG A 137 10.110 -0.680 -1.474 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.836 0.105 -0.535 1.00 2.82 H new ATOM 0 HH21 ARG A 137 6.753 -2.750 -0.475 1.00 2.05 H new ATOM 0 HH22 ARG A 137 6.938 -1.067 0.029 1.00 2.05 H new ATOM 2146 N ASN A 138 11.501 -5.552 2.778 1.00 0.35 N ATOM 2147 CA ASN A 138 10.847 -6.389 3.766 1.00 0.39 C ATOM 2148 C ASN A 138 9.579 -5.705 4.236 1.00 0.39 C ATOM 2149 O ASN A 138 9.592 -4.894 5.160 1.00 0.49 O ATOM 2150 CB ASN A 138 11.793 -6.690 4.939 1.00 0.45 C ATOM 2151 CG ASN A 138 11.141 -7.436 6.104 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.632 -7.370 7.231 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.031 -8.125 5.864 1.00 0.67 N ATOM 0 H ASN A 138 12.037 -4.778 3.170 1.00 0.35 H new ATOM 0 HA ASN A 138 10.583 -7.346 3.315 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.632 -7.280 4.570 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.202 -5.750 5.309 1.00 0.45 H new ATOM 0 HD21 ASN A 138 9.562 -8.618 6.624 1.00 0.67 H new ATOM 0 HD22 ASN A 138 9.648 -8.161 4.920 1.00 0.67 H new ATOM 2160 N ILE A 139 8.491 -5.998 3.544 1.00 0.37 N ATOM 2161 CA ILE A 139 7.202 -5.433 3.879 1.00 0.36 C ATOM 2162 C ILE A 139 6.634 -6.151 5.086 1.00 0.37 C ATOM 2163 O ILE A 139 6.135 -7.268 4.982 1.00 0.46 O ATOM 2164 CB ILE A 139 6.219 -5.539 2.699 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.881 -5.013 1.425 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.945 -4.763 3.004 1.00 0.43 C ATOM 2167 CD1 ILE A 139 6.073 -5.261 0.169 1.00 0.48 C ATOM 0 H ILE A 139 8.479 -6.628 2.742 1.00 0.37 H new ATOM 0 HA ILE A 139 7.341 -4.376 4.107 1.00 0.36 H new ATOM 0 HB ILE A 139 5.953 -6.585 2.547 1.00 0.39 H new ATOM 0 HG12 ILE A 139 7.051 -3.942 1.531 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.859 -5.481 1.315 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.258 -4.846 2.162 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.474 -5.173 3.898 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.189 -3.714 3.171 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.607 -4.860 -0.692 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.925 -6.333 0.037 1.00 0.48 H new ATOM 0 HD13 ILE A 139 5.104 -4.769 0.256 1.00 0.48 H new ATOM 2179 N LEU A 140 6.749 -5.510 6.229 1.00 0.35 N ATOM 2180 CA LEU A 140 6.327 -6.094 7.484 1.00 0.39 C ATOM 2181 C LEU A 140 4.804 -6.114 7.576 1.00 0.36 C ATOM 2182 O LEU A 140 4.187 -5.224 8.163 1.00 0.37 O ATOM 2183 CB LEU A 140 6.945 -5.312 8.645 1.00 0.47 C ATOM 2184 CG LEU A 140 8.477 -5.331 8.683 1.00 0.54 C ATOM 2185 CD1 LEU A 140 9.013 -4.246 9.607 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.977 -6.697 9.126 1.00 0.99 C ATOM 0 H LEU A 140 7.137 -4.571 6.315 1.00 0.35 H new ATOM 0 HA LEU A 140 6.673 -7.126 7.539 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.609 -4.277 8.588 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.566 -5.719 9.582 1.00 0.47 H new ATOM 0 HG LEU A 140 8.844 -5.131 7.676 1.00 0.54 H new ATOM 0 HD11 LEU A 140 10.102 -4.281 9.616 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.684 -3.270 9.251 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.636 -4.409 10.617 1.00 0.88 H new ATOM 0 HD21 LEU A 140 10.067 -6.696 9.148 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.594 -6.919 10.122 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.629 -7.456 8.426 1.00 0.99 H new ATOM 2198 N ALA A 141 4.208 -7.136 6.970 1.00 0.39 N ATOM 2199 CA ALA A 141 2.761 -7.289 6.949 1.00 0.42 C ATOM 2200 C ALA A 141 2.240 -7.646 8.332 1.00 0.49 C ATOM 2201 O ALA A 141 1.045 -7.545 8.607 1.00 0.55 O ATOM 2202 CB ALA A 141 2.358 -8.353 5.944 1.00 0.48 C ATOM 0 H ALA A 141 4.713 -7.876 6.483 1.00 0.39 H new ATOM 0 HA ALA A 141 2.319 -6.339 6.649 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.273 -8.457 5.939 1.00 0.48 H new ATOM 0 HB2 ALA A 141 2.699 -8.063 4.950 1.00 0.48 H new ATOM 0 HB3 ALA A 141 2.812 -9.305 6.220 1.00 0.48 H new ATOM 2208 N SER A 142 3.150 -8.073 9.197 1.00 0.52 N ATOM 2209 CA SER A 142 2.810 -8.382 10.573 1.00 0.62 C ATOM 2210 C SER A 142 2.543 -7.095 11.356 1.00 0.61 C ATOM 2211 O SER A 142 2.052 -7.132 12.484 1.00 0.70 O ATOM 2212 CB SER A 142 3.938 -9.182 11.229 1.00 0.72 C ATOM 2213 OG SER A 142 3.511 -9.750 12.456 1.00 1.42 O ATOM 0 H SER A 142 4.133 -8.213 8.965 1.00 0.52 H new ATOM 0 HA SER A 142 1.903 -8.987 10.582 1.00 0.62 H new ATOM 0 HB2 SER A 142 4.269 -9.972 10.554 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.795 -8.532 11.404 1.00 0.72 H new ATOM 0 HG SER A 142 2.912 -9.125 12.915 1.00 1.42 H new ATOM 2219 N ASN A 143 2.872 -5.957 10.751 1.00 0.56 N ATOM 2220 CA ASN A 143 2.601 -4.658 11.355 1.00 0.60 C ATOM 2221 C ASN A 143 1.677 -3.840 10.461 1.00 0.49 C ATOM 2222 O ASN A 143 2.133 -2.986 9.697 1.00 0.49 O ATOM 2223 CB ASN A 143 3.901 -3.887 11.611 1.00 0.74 C ATOM 2224 CG ASN A 143 4.716 -4.471 12.750 1.00 1.25 C ATOM 2225 OD1 ASN A 143 5.526 -5.378 12.552 1.00 1.87 O ATOM 2226 ND2 ASN A 143 4.518 -3.949 13.948 1.00 1.91 N ATOM 0 H ASN A 143 3.328 -5.909 9.840 1.00 0.56 H new ATOM 0 HA ASN A 143 2.110 -4.829 12.313 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.503 -3.887 10.702 1.00 0.74 H new ATOM 0 HB3 ASN A 143 3.663 -2.847 11.836 1.00 0.74 H new ATOM 0 HD21 ASN A 143 5.045 -4.296 14.749 1.00 1.91 H new ATOM 0 HD22 ASN A 143 3.838 -3.199 14.071 1.00 1.91 H new ATOM 2233 N PRO A 144 0.365 -4.114 10.516 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.625 -3.414 9.724 1.00 0.43 C ATOM 2235 C PRO A 144 -1.230 -2.233 10.475 1.00 0.39 C ATOM 2236 O PRO A 144 -2.026 -2.407 11.399 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.686 -4.493 9.472 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.460 -5.557 10.513 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.274 -5.135 11.347 1.00 0.60 C ATOM 0 HA PRO A 144 -0.204 -2.986 8.814 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.690 -4.077 9.552 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.591 -4.905 8.467 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.345 -5.675 11.138 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -1.272 -6.521 10.041 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.582 -4.735 12.313 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.397 -5.971 11.547 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.843 -1.034 10.082 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.361 0.173 10.707 1.00 0.33 C ATOM 2249 C ARG A 145 -2.696 0.539 10.067 1.00 0.30 C ATOM 2250 O ARG A 145 -2.744 1.215 9.042 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.343 1.312 10.570 1.00 0.41 C ATOM 2252 CG ARG A 145 -0.597 2.504 11.481 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.475 3.549 10.815 1.00 1.21 C ATOM 2254 NE ARG A 145 -1.595 4.761 11.626 1.00 1.63 N ATOM 2255 CZ ARG A 145 -0.841 5.846 11.449 1.00 2.42 C ATOM 2256 NH1 ARG A 145 0.095 5.860 10.512 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -1.022 6.922 12.201 1.00 3.15 N ATOM 0 H ARG A 145 -0.171 -0.868 9.333 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.525 -0.000 11.771 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.652 0.919 10.778 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.340 1.656 9.536 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -1.072 2.163 12.401 1.00 0.98 H new ATOM 0 HG3 ARG A 145 0.355 2.955 11.762 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -1.059 3.805 9.840 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -2.466 3.131 10.639 1.00 1.21 H new ATOM 0 HE ARG A 145 -2.295 4.777 12.368 1.00 1.63 H new ATOM 0 HH11 ARG A 145 0.240 5.039 9.924 1.00 3.00 H new ATOM 0 HH12 ARG A 145 0.671 6.691 10.379 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -1.743 6.925 12.922 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -0.440 7.748 12.058 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.777 0.055 10.652 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.094 0.236 10.069 1.00 0.39 C ATOM 2273 C VAL A 146 -5.740 1.523 10.563 1.00 0.40 C ATOM 2274 O VAL A 146 -6.192 1.604 11.704 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.020 -0.958 10.390 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.378 -0.784 9.725 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.379 -2.267 9.957 1.00 1.11 C ATOM 0 H VAL A 146 -3.769 -0.466 11.529 1.00 0.36 H new ATOM 0 HA VAL A 146 -4.959 0.296 8.989 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.170 -0.989 11.469 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -8.013 -1.637 9.965 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.846 0.131 10.088 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.249 -0.721 8.645 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -6.048 -3.095 10.192 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.194 -2.244 8.883 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.435 -2.402 10.485 1.00 1.11 H new ATOM 2287 N THR A 147 -5.762 2.531 9.708 1.00 0.40 N ATOM 2288 CA THR A 147 -6.460 3.767 10.015 1.00 0.42 C ATOM 2289 C THR A 147 -7.750 3.834 9.229 1.00 0.35 C ATOM 2290 O THR A 147 -7.731 3.995 8.012 1.00 0.33 O ATOM 2291 CB THR A 147 -5.614 5.006 9.674 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.296 4.871 10.213 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.260 6.270 10.223 1.00 0.52 C ATOM 0 H THR A 147 -5.305 2.518 8.796 1.00 0.40 H new ATOM 0 HA THR A 147 -6.659 3.769 11.087 1.00 0.42 H new ATOM 0 HB THR A 147 -5.554 5.084 8.588 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.204 5.447 11.001 1.00 0.56 H new ATOM 0 HG21 THR A 147 -5.644 7.133 9.970 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.251 6.391 9.786 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.348 6.193 11.307 1.00 0.52 H new ATOM 2301 N ARG A 148 -8.864 3.693 9.912 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.145 3.770 9.248 1.00 0.34 C ATOM 2303 C ARG A 148 -10.805 5.111 9.522 1.00 0.37 C ATOM 2304 O ARG A 148 -10.670 5.685 10.606 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.056 2.607 9.663 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.084 2.357 11.165 1.00 0.57 C ATOM 2307 CD ARG A 148 -11.934 1.149 11.536 1.00 0.88 C ATOM 2308 NE ARG A 148 -13.367 1.419 11.433 1.00 1.48 N ATOM 2309 CZ ARG A 148 -14.309 0.476 11.503 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -13.973 -0.798 11.669 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -15.589 0.808 11.427 1.00 3.00 N ATOM 0 H ARG A 148 -8.909 3.526 10.917 1.00 0.38 H new ATOM 0 HA ARG A 148 -9.978 3.686 8.174 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.070 2.811 9.319 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.724 1.699 9.159 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.066 2.206 11.525 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -11.473 3.241 11.671 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -11.677 0.314 10.884 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -11.698 0.842 12.555 1.00 0.88 H new ATOM 0 HE ARG A 148 -13.665 2.385 11.300 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -12.990 -1.061 11.744 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -14.698 -1.514 11.722 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -15.856 1.786 11.315 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -16.307 0.086 11.481 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.493 5.605 8.515 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.152 6.894 8.568 1.00 0.36 C ATOM 2327 C PHE A 149 -13.657 6.696 8.503 1.00 0.38 C ATOM 2328 O PHE A 149 -14.151 5.971 7.640 1.00 0.46 O ATOM 2329 CB PHE A 149 -11.706 7.759 7.383 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.220 7.768 7.150 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.409 8.694 7.780 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -9.639 6.849 6.290 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.044 8.704 7.558 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.280 6.854 6.064 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.481 7.781 6.697 1.00 0.40 C ATOM 0 H PHE A 149 -11.612 5.118 7.627 1.00 0.33 H new ATOM 0 HA PHE A 149 -11.884 7.393 9.500 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.202 7.402 6.480 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.043 8.783 7.548 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -9.846 9.417 8.453 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.260 6.120 5.791 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.420 9.431 8.056 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -7.841 6.132 5.391 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.416 7.786 6.520 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.386 7.317 9.410 1.00 0.47 N ATOM 2346 CA HIS A 150 -15.832 7.243 9.365 1.00 0.51 C ATOM 2347 C HIS A 150 -16.350 8.217 8.321 1.00 0.52 C ATOM 2348 O HIS A 150 -16.274 9.432 8.500 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.456 7.550 10.731 1.00 0.64 C ATOM 2350 CG HIS A 150 -17.941 7.328 10.773 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -18.865 8.319 10.508 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -18.662 6.212 11.043 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -20.083 7.823 10.615 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -19.989 6.550 10.937 1.00 2.73 N ATOM 0 H HIS A 150 -14.006 7.871 10.177 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.117 6.226 9.097 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -15.981 6.925 11.487 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -16.244 8.586 10.994 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.267 5.239 11.294 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -21.002 8.369 10.464 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -20.775 5.917 11.084 1.00 2.73 H new ATOM 2363 N ILE A 151 -16.862 7.678 7.232 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.405 8.489 6.165 1.00 0.50 C ATOM 2365 C ILE A 151 -18.852 8.111 5.938 1.00 0.49 C ATOM 2366 O ILE A 151 -19.379 7.210 6.596 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.638 8.315 4.832 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.749 6.871 4.329 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.177 8.715 4.999 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.467 6.716 2.852 1.00 0.64 C ATOM 0 H ILE A 151 -16.912 6.673 7.064 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.309 9.530 6.473 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.090 8.971 4.088 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.054 6.246 4.890 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -17.752 6.499 4.539 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.654 8.586 4.052 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.118 9.759 5.307 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.712 8.086 5.759 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.565 5.667 2.571 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.178 7.313 2.281 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.454 7.056 2.637 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.485 8.784 5.005 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.850 8.476 4.659 1.00 0.51 C ATOM 2384 C ASN A 152 -20.888 7.688 3.357 1.00 0.49 C ATOM 2385 O ASN A 152 -20.536 8.188 2.289 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.691 9.758 4.580 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.277 10.697 3.459 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -20.349 11.492 3.613 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.980 10.632 2.337 1.00 1.33 N ATOM 0 H ASN A 152 -19.074 9.550 4.472 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.288 7.854 5.440 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -22.738 9.486 4.445 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -21.619 10.288 5.530 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.760 11.255 1.560 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -22.741 9.959 2.250 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.251 6.426 3.473 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.404 5.561 2.316 1.00 0.59 C ATOM 2398 C TRP A 153 -22.725 5.877 1.645 1.00 0.72 C ATOM 2399 O TRP A 153 -22.891 5.724 0.435 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.378 4.095 2.746 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.232 3.749 3.644 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -20.078 4.119 4.949 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.097 2.944 3.320 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.915 3.604 5.449 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.295 2.874 4.472 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.681 2.275 2.168 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.103 2.162 4.504 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.499 1.568 2.200 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -16.724 1.513 3.362 1.00 0.53 C ATOM 0 H TRP A 153 -21.448 5.972 4.365 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.582 5.731 1.620 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.312 3.859 3.257 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.333 3.466 1.857 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.774 4.730 5.505 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.566 3.742 6.397 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.275 2.311 1.267 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.498 2.122 5.398 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.166 1.048 1.314 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -15.805 0.945 3.358 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.652 6.343 2.459 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.956 6.745 2.000 1.00 0.99 C ATOM 2422 C GLU A 154 -24.864 8.206 1.612 1.00 0.96 C ATOM 2423 O GLU A 154 -24.330 9.018 2.370 1.00 1.23 O ATOM 2424 CB GLU A 154 -26.002 6.565 3.111 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.661 5.488 4.139 1.00 1.48 C ATOM 2426 CD GLU A 154 -25.684 4.079 3.581 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -24.702 3.670 2.941 1.00 2.32 O ATOM 2428 OE2 GLU A 154 -26.687 3.364 3.799 1.00 2.07 O ATOM 0 H GLU A 154 -23.515 6.452 3.464 1.00 0.80 H new ATOM 0 HA GLU A 154 -25.264 6.132 1.153 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -26.129 7.516 3.629 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.960 6.321 2.653 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -24.671 5.690 4.548 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -26.367 5.552 4.967 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.343 8.543 0.437 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.245 9.909 -0.034 1.00 1.07 C ATOM 2437 C ASP A 155 -26.319 10.764 0.621 1.00 1.02 C ATOM 2438 O ASP A 155 -27.408 10.951 0.084 1.00 1.15 O ATOM 2439 CB ASP A 155 -25.345 9.952 -1.551 1.00 1.41 C ATOM 2440 CG ASP A 155 -24.960 11.302 -2.121 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -23.749 11.590 -2.227 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -25.871 12.090 -2.457 1.00 1.86 O ATOM 0 H ASP A 155 -25.801 7.898 -0.207 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.274 10.317 0.245 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -24.699 9.184 -1.976 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -26.365 9.712 -1.851 1.00 1.41 H new ATOM 2447 N ASN A 156 -26.013 11.217 1.825 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.926 12.021 2.620 1.00 1.31 C ATOM 2449 C ASN A 156 -26.414 13.446 2.695 1.00 1.59 C ATOM 2450 O ASN A 156 -26.981 14.317 2.014 1.00 2.09 O ATOM 2451 CB ASN A 156 -27.066 11.432 4.029 1.00 1.55 C ATOM 2452 CG ASN A 156 -27.978 10.216 4.090 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -28.182 9.552 2.961 1.00 2.57 O flip ATOM 2454 ND2 ASN A 156 -28.513 9.884 5.147 1.00 2.27 N flip ATOM 2455 OXT ASN A 156 -25.402 13.676 3.392 1.00 2.05 O ATOM 0 H ASN A 156 -25.119 11.036 2.281 1.00 1.06 H new ATOM 0 HA ASN A 156 -27.908 12.018 2.147 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -26.079 11.155 4.398 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -27.453 12.200 4.699 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -28.335 10.417 5.998 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -29.135 9.076 5.172 1.00 2.27 H new TER 2462 ASN A 156