USER MOD reduce.3.24.130724 H: found=0, std=0, add=1206, rem=0, adj=35 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 :FLIP amide:sc= 0.0183 F(o=-1.1,f=-0.049) USER MOD Set 1.2: A 152 ASN :FLIP amide:sc= -0.0675 F(o=-5.5!,f=-0.049) USER MOD Set 2.1: A 30 CYS SG : rot 158:sc= -0.596 USER MOD Set 2.2: A 70 HIS : no HD1:sc= -0.249 X(o=-0.84,f=-0.55) USER MOD Set 3.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 115 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.5!) USER MOD Single : A 1 MET CE :methyl -118:sc= -0.32 (180deg=-0.388) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.79 (180deg=1.64) USER MOD Single : A 3 LYS NZ :NH3+ -147:sc= 0.378 (180deg=-0.0938) USER MOD Single : A 5 GLN : amide:sc= -0.473 K(o=-0.47,f=-1.6) USER MOD Single : A 7 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.87) USER MOD Single : A 8 ASN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0167 K(o=-0.017,f=-0.53) USER MOD Single : A 16 SER OG : rot 77:sc= 1.25 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.5!) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.79 F(o=-2.1,f=-0.79) USER MOD Single : A 27 THR OG1 : rot 55:sc= 1.06 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -109:sc= 0.193 (180deg=-2.97!) USER MOD Single : A 47 SER OG : rot 151:sc= -2.82! USER MOD Single : A 50 SER OG : rot 65:sc= 1.28 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.615 K(o=-0.62,f=-7.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 157:sc= -0.27 (180deg=-1.05) USER MOD Single : A 75 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0285 USER MOD Single : A 99 CYS SG : rot -98:sc= 1.35 USER MOD Single : A 100 THR OG1 : rot 131:sc= 1.21 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -144:sc= 1.23 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= -3.23! USER MOD Single : A 118 THR OG1 : rot 87:sc= 0.859 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.868 K(o=0.87,f=-0.67) USER MOD Single : A 129 LYS NZ :NH3+ -140:sc= 1.31 (180deg=0.38) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -170:sc= 1.29 (180deg=0.959) USER MOD Single : A 136 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.27) USER MOD Single : A 138 ASN : amide:sc= -0.338 K(o=-0.34,f=-3.4!) USER MOD Single : A 142 SER OG : rot -34:sc= 0.0685 USER MOD Single : A 143 ASN : amide:sc=-0.00937 K(o=-0.0094,f=-0.58) USER MOD Single : A 147 THR OG1 : rot -123:sc= 0.904 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 156 ASN :FLIP amide:sc= -0.178 F(o=-1.2,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.305 0.175 5.989 1.00 2.96 N ATOM 2 CA MET A 1 -16.897 -0.511 7.160 1.00 2.49 C ATOM 3 C MET A 1 -18.381 -0.810 6.943 1.00 1.61 C ATOM 4 O MET A 1 -18.902 -1.779 7.486 1.00 2.04 O ATOM 5 CB MET A 1 -16.716 0.339 8.427 1.00 2.65 C ATOM 6 CG MET A 1 -17.597 1.582 8.497 1.00 2.26 C ATOM 7 SD MET A 1 -17.372 2.708 7.101 1.00 2.63 S ATOM 8 CE MET A 1 -18.387 4.087 7.634 1.00 2.46 C ATOM 0 H1 MET A 1 -15.287 0.317 6.148 1.00 2.96 H new ATOM 0 H2 MET A 1 -16.444 -0.407 5.139 1.00 2.96 H new ATOM 0 H3 MET A 1 -16.767 1.097 5.857 1.00 2.96 H new ATOM 0 HA MET A 1 -16.374 -1.459 7.285 1.00 2.49 H new ATOM 0 HB2 MET A 1 -16.922 -0.284 9.297 1.00 2.65 H new ATOM 0 HB3 MET A 1 -15.673 0.647 8.495 1.00 2.65 H new ATOM 0 HG2 MET A 1 -18.642 1.275 8.540 1.00 2.26 H new ATOM 0 HG3 MET A 1 -17.383 2.117 9.422 1.00 2.26 H new ATOM 0 HE1 MET A 1 -19.201 4.236 6.924 1.00 2.46 H new ATOM 0 HE2 MET A 1 -18.800 3.875 8.620 1.00 2.46 H new ATOM 0 HE3 MET A 1 -17.778 4.990 7.682 1.00 2.46 H new ATOM 18 N ALA A 2 -19.063 0.015 6.147 1.00 0.91 N ATOM 19 CA ALA A 2 -20.499 -0.133 5.962 1.00 0.66 C ATOM 20 C ALA A 2 -20.838 -1.156 4.879 1.00 0.57 C ATOM 21 O ALA A 2 -21.325 -2.241 5.174 1.00 0.68 O ATOM 22 CB ALA A 2 -21.118 1.216 5.641 1.00 1.48 C ATOM 0 H ALA A 2 -18.644 0.785 5.626 1.00 0.91 H new ATOM 0 HA ALA A 2 -20.919 -0.510 6.895 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -22.193 1.100 5.503 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -20.930 1.907 6.463 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -20.676 1.611 4.726 1.00 1.48 H new ATOM 28 N LYS A 3 -20.579 -0.814 3.623 1.00 0.46 N ATOM 29 CA LYS A 3 -20.950 -1.691 2.515 1.00 0.45 C ATOM 30 C LYS A 3 -19.757 -2.503 2.027 1.00 0.35 C ATOM 31 O LYS A 3 -19.909 -3.419 1.228 1.00 0.36 O ATOM 32 CB LYS A 3 -21.555 -0.891 1.357 1.00 0.54 C ATOM 33 CG LYS A 3 -22.860 -0.197 1.714 1.00 0.82 C ATOM 34 CD LYS A 3 -22.621 1.111 2.446 1.00 0.81 C ATOM 35 CE LYS A 3 -23.819 1.516 3.288 1.00 0.91 C ATOM 36 NZ LYS A 3 -25.092 1.450 2.522 1.00 0.98 N ATOM 0 H LYS A 3 -20.119 0.053 3.346 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.704 -2.384 2.888 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.834 -0.143 1.027 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.728 -1.561 0.515 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -23.430 -0.006 0.805 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.464 -0.857 2.337 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.744 1.014 3.086 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.403 1.897 1.723 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.886 0.863 4.158 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.673 2.530 3.660 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.737 2.194 2.856 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.896 1.590 1.510 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.534 0.519 2.663 1.00 0.98 H new ATOM 50 N VAL A 4 -18.582 -2.173 2.534 1.00 0.32 N ATOM 51 CA VAL A 4 -17.357 -2.873 2.182 1.00 0.29 C ATOM 52 C VAL A 4 -16.471 -2.957 3.409 1.00 0.33 C ATOM 53 O VAL A 4 -16.250 -1.954 4.103 1.00 0.45 O ATOM 54 CB VAL A 4 -16.602 -2.192 1.004 1.00 0.28 C ATOM 55 CG1 VAL A 4 -15.089 -2.274 1.171 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.998 -2.836 -0.316 1.00 0.27 C ATOM 0 H VAL A 4 -18.449 -1.413 3.201 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.620 -3.874 1.841 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.886 -1.140 1.005 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.603 -1.786 0.326 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.797 -1.775 2.095 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.784 -3.320 1.211 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.463 -2.351 -1.132 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.744 -3.896 -0.295 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -18.071 -2.724 -0.468 1.00 0.27 H new ATOM 66 N GLN A 5 -16.011 -4.158 3.700 1.00 0.30 N ATOM 67 CA GLN A 5 -15.201 -4.397 4.871 1.00 0.34 C ATOM 68 C GLN A 5 -14.024 -5.296 4.522 1.00 0.31 C ATOM 69 O GLN A 5 -14.187 -6.494 4.285 1.00 0.32 O ATOM 70 CB GLN A 5 -16.070 -5.024 5.964 1.00 0.41 C ATOM 71 CG GLN A 5 -15.369 -5.234 7.293 1.00 0.72 C ATOM 72 CD GLN A 5 -14.704 -3.976 7.824 1.00 0.81 C ATOM 73 OE1 GLN A 5 -15.340 -3.152 8.483 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.408 -3.838 7.574 1.00 1.39 N ATOM 0 H GLN A 5 -16.188 -4.988 3.134 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.799 -3.453 5.240 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.941 -4.389 6.125 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.439 -5.986 5.608 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -16.093 -5.592 8.026 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.617 -6.015 7.180 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -12.917 -4.543 7.024 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.903 -3.027 7.932 1.00 1.39 H new ATOM 83 N VAL A 6 -12.842 -4.702 4.452 1.00 0.32 N ATOM 84 CA VAL A 6 -11.629 -5.462 4.209 1.00 0.34 C ATOM 85 C VAL A 6 -11.327 -6.331 5.418 1.00 0.38 C ATOM 86 O VAL A 6 -11.306 -5.844 6.548 1.00 0.60 O ATOM 87 CB VAL A 6 -10.420 -4.547 3.919 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.182 -5.375 3.613 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.726 -3.596 2.772 1.00 1.32 C ATOM 0 H VAL A 6 -12.699 -3.698 4.560 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.796 -6.081 3.327 1.00 0.34 H new ATOM 0 HB VAL A 6 -10.222 -3.952 4.811 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.341 -4.711 3.411 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -8.947 -6.008 4.468 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.369 -6.000 2.739 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.860 -2.961 2.585 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.955 -4.170 1.874 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.582 -2.974 3.033 1.00 1.32 H new ATOM 99 N ASN A 7 -11.119 -7.611 5.175 1.00 0.32 N ATOM 100 CA ASN A 7 -10.880 -8.562 6.248 1.00 0.36 C ATOM 101 C ASN A 7 -9.468 -9.113 6.164 1.00 0.37 C ATOM 102 O ASN A 7 -8.643 -8.881 7.047 1.00 0.46 O ATOM 103 CB ASN A 7 -11.895 -9.707 6.183 1.00 0.37 C ATOM 104 CG ASN A 7 -13.295 -9.274 6.576 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.478 -8.408 7.429 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.294 -9.866 5.943 1.00 0.53 N ATOM 0 H ASN A 7 -11.110 -8.019 4.240 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.997 -8.043 7.199 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -11.915 -10.112 5.171 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.570 -10.512 6.842 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.257 -9.608 6.157 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -14.101 -10.580 5.241 1.00 0.53 H new ATOM 113 N ASN A 8 -9.190 -9.836 5.090 1.00 0.33 N ATOM 114 CA ASN A 8 -7.880 -10.436 4.898 1.00 0.39 C ATOM 115 C ASN A 8 -7.063 -9.614 3.922 1.00 0.39 C ATOM 116 O ASN A 8 -7.318 -9.635 2.726 1.00 0.48 O ATOM 117 CB ASN A 8 -8.002 -11.873 4.382 1.00 0.44 C ATOM 118 CG ASN A 8 -6.652 -12.557 4.250 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.161 -13.169 5.198 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.044 -12.463 3.074 1.00 1.47 N ATOM 0 H ASN A 8 -9.854 -10.021 4.338 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.377 -10.455 5.865 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.633 -12.448 5.060 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.500 -11.867 3.412 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.137 -12.907 2.932 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.484 -11.947 2.312 1.00 1.47 H new ATOM 127 N VAL A 9 -6.098 -8.881 4.429 1.00 0.42 N ATOM 128 CA VAL A 9 -5.214 -8.118 3.575 1.00 0.45 C ATOM 129 C VAL A 9 -3.763 -8.460 3.897 1.00 0.50 C ATOM 130 O VAL A 9 -3.180 -7.979 4.868 1.00 0.60 O ATOM 131 CB VAL A 9 -5.483 -6.595 3.693 1.00 0.48 C ATOM 132 CG1 VAL A 9 -5.403 -6.122 5.139 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.532 -5.808 2.805 1.00 1.01 C ATOM 0 H VAL A 9 -5.905 -8.796 5.427 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.411 -8.390 2.538 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.500 -6.411 3.348 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -5.597 -5.050 5.182 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -6.147 -6.650 5.736 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.408 -6.327 5.534 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.739 -4.743 2.904 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.504 -6.007 3.107 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.670 -6.109 1.767 1.00 1.01 H new ATOM 143 N VAL A 10 -3.188 -9.330 3.089 1.00 0.52 N ATOM 144 CA VAL A 10 -1.848 -9.824 3.347 1.00 0.61 C ATOM 145 C VAL A 10 -0.892 -9.424 2.240 1.00 0.47 C ATOM 146 O VAL A 10 -1.297 -9.222 1.094 1.00 0.48 O ATOM 147 CB VAL A 10 -1.824 -11.360 3.522 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.593 -11.770 4.768 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.391 -12.058 2.295 1.00 1.24 C ATOM 0 H VAL A 10 -3.626 -9.709 2.250 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.522 -9.366 4.281 1.00 0.61 H new ATOM 0 HB VAL A 10 -0.785 -11.668 3.639 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.564 -12.855 4.873 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -2.138 -11.308 5.645 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -3.629 -11.441 4.681 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.362 -13.137 2.445 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.422 -11.740 2.140 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -1.795 -11.797 1.420 1.00 1.24 H new ATOM 159 N VAL A 11 0.370 -9.288 2.598 1.00 0.44 N ATOM 160 CA VAL A 11 1.408 -8.965 1.641 1.00 0.39 C ATOM 161 C VAL A 11 2.144 -10.240 1.264 1.00 0.41 C ATOM 162 O VAL A 11 2.336 -11.119 2.107 1.00 0.52 O ATOM 163 CB VAL A 11 2.414 -7.945 2.214 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.289 -7.383 1.108 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.693 -6.828 2.955 1.00 0.91 C ATOM 0 H VAL A 11 0.703 -9.398 3.556 1.00 0.44 H new ATOM 0 HA VAL A 11 0.939 -8.517 0.765 1.00 0.39 H new ATOM 0 HB VAL A 11 3.055 -8.462 2.929 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.993 -6.665 1.530 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.840 -8.194 0.632 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.664 -6.885 0.367 1.00 0.81 H new ATOM 0 HG21 VAL A 11 2.424 -6.122 3.349 1.00 0.91 H new ATOM 0 HG22 VAL A 11 1.022 -6.310 2.269 1.00 0.91 H new ATOM 0 HG23 VAL A 11 1.116 -7.250 3.778 1.00 0.91 H new ATOM 175 N LEU A 12 2.535 -10.357 0.008 1.00 0.40 N ATOM 176 CA LEU A 12 3.203 -11.558 -0.454 1.00 0.45 C ATOM 177 C LEU A 12 4.554 -11.235 -1.071 1.00 0.57 C ATOM 178 O LEU A 12 4.790 -10.118 -1.540 1.00 1.18 O ATOM 179 CB LEU A 12 2.342 -12.321 -1.466 1.00 0.50 C ATOM 180 CG LEU A 12 0.940 -12.705 -0.988 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.040 -11.564 -1.210 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.460 -13.962 -1.696 1.00 1.16 C ATOM 0 H LEU A 12 2.402 -9.640 -0.705 1.00 0.40 H new ATOM 0 HA LEU A 12 3.359 -12.192 0.419 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.245 -11.712 -2.365 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.870 -13.231 -1.752 1.00 0.50 H new ATOM 0 HG LEU A 12 0.991 -12.907 0.082 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.029 -11.861 -0.862 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.291 -10.687 -0.655 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.085 -11.325 -2.272 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.539 -14.220 -1.343 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.431 -13.785 -2.771 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.144 -14.784 -1.482 1.00 1.16 H new ATOM 194 N ASP A 13 5.433 -12.231 -1.019 1.00 0.84 N ATOM 195 CA ASP A 13 6.771 -12.192 -1.616 1.00 1.01 C ATOM 196 C ASP A 13 7.742 -11.396 -0.758 1.00 0.85 C ATOM 197 O ASP A 13 8.930 -11.350 -1.035 1.00 1.01 O ATOM 198 CB ASP A 13 6.757 -11.638 -3.048 1.00 1.29 C ATOM 199 CG ASP A 13 7.956 -12.115 -3.849 1.00 2.15 C ATOM 200 OD1 ASP A 13 7.945 -13.286 -4.293 1.00 2.73 O ATOM 201 OD2 ASP A 13 8.917 -11.344 -4.020 1.00 2.57 O ATOM 0 H ASP A 13 5.232 -13.113 -0.548 1.00 0.84 H new ATOM 0 HA ASP A 13 7.113 -13.226 -1.663 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.839 -11.947 -3.548 1.00 1.29 H new ATOM 0 HB3 ASP A 13 6.751 -10.548 -3.016 1.00 1.29 H new ATOM 206 N ASN A 14 7.250 -10.800 0.311 1.00 0.68 N ATOM 207 CA ASN A 14 8.122 -10.043 1.206 1.00 0.63 C ATOM 208 C ASN A 14 8.788 -10.978 2.212 1.00 0.57 C ATOM 209 O ASN A 14 8.183 -11.955 2.657 1.00 0.67 O ATOM 210 CB ASN A 14 7.335 -8.952 1.942 1.00 0.78 C ATOM 211 CG ASN A 14 6.290 -9.509 2.894 1.00 0.96 C ATOM 212 OD1 ASN A 14 5.173 -9.813 2.488 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.638 -9.622 4.167 1.00 1.40 N ATOM 0 H ASN A 14 6.267 -10.820 0.583 1.00 0.68 H new ATOM 0 HA ASN A 14 8.893 -9.563 0.603 1.00 0.63 H new ATOM 0 HB2 ASN A 14 8.030 -8.326 2.501 1.00 0.78 H new ATOM 0 HB3 ASN A 14 6.845 -8.310 1.210 1.00 0.78 H new ATOM 0 HD21 ASN A 14 5.967 -9.973 4.850 1.00 1.40 H new ATOM 0 HD22 ASN A 14 7.577 -9.358 4.464 1.00 1.40 H new ATOM 220 N PRO A 15 10.060 -10.719 2.564 1.00 0.51 N ATOM 221 CA PRO A 15 10.859 -9.628 1.997 1.00 0.45 C ATOM 222 C PRO A 15 11.579 -10.011 0.703 1.00 0.44 C ATOM 223 O PRO A 15 12.105 -11.117 0.569 1.00 0.48 O ATOM 224 CB PRO A 15 11.872 -9.370 3.102 1.00 0.48 C ATOM 225 CG PRO A 15 12.112 -10.707 3.713 1.00 0.57 C ATOM 226 CD PRO A 15 10.815 -11.469 3.586 1.00 0.60 C ATOM 0 HA PRO A 15 10.244 -8.772 1.720 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.793 -8.945 2.704 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.486 -8.662 3.836 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.921 -11.229 3.202 1.00 0.57 H new ATOM 0 HG3 PRO A 15 12.405 -10.610 4.758 1.00 0.57 H new ATOM 0 HD2 PRO A 15 10.986 -12.501 3.279 1.00 0.60 H new ATOM 0 HD3 PRO A 15 10.278 -11.504 4.534 1.00 0.60 H new ATOM 234 N SER A 16 11.613 -9.075 -0.232 1.00 0.42 N ATOM 235 CA SER A 16 12.277 -9.280 -1.518 1.00 0.47 C ATOM 236 C SER A 16 12.750 -7.949 -2.093 1.00 0.45 C ATOM 237 O SER A 16 12.310 -6.892 -1.639 1.00 0.43 O ATOM 238 CB SER A 16 11.349 -9.984 -2.513 1.00 0.59 C ATOM 239 OG SER A 16 11.197 -11.352 -2.183 1.00 0.77 O ATOM 0 H SER A 16 11.185 -8.155 -0.126 1.00 0.42 H new ATOM 0 HA SER A 16 13.143 -9.919 -1.348 1.00 0.47 H new ATOM 0 HB2 SER A 16 10.374 -9.496 -2.515 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.753 -9.892 -3.521 1.00 0.59 H new ATOM 0 HG SER A 16 10.581 -11.439 -1.426 1.00 0.77 H new ATOM 245 N PRO A 17 13.662 -7.985 -3.087 1.00 0.52 N ATOM 246 CA PRO A 17 14.215 -6.778 -3.723 1.00 0.52 C ATOM 247 C PRO A 17 13.158 -5.773 -4.193 1.00 0.48 C ATOM 248 O PRO A 17 11.996 -6.114 -4.429 1.00 0.58 O ATOM 249 CB PRO A 17 14.980 -7.333 -4.923 1.00 0.60 C ATOM 250 CG PRO A 17 15.382 -8.701 -4.507 1.00 0.83 C ATOM 251 CD PRO A 17 14.254 -9.215 -3.658 1.00 0.63 C ATOM 0 HA PRO A 17 14.821 -6.212 -3.015 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.355 -7.357 -5.816 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.849 -6.718 -5.159 1.00 0.60 H new ATOM 0 HG2 PRO A 17 15.544 -9.342 -5.374 1.00 0.83 H new ATOM 0 HG3 PRO A 17 16.317 -8.681 -3.946 1.00 0.83 H new ATOM 0 HD2 PRO A 17 13.528 -9.772 -4.250 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.613 -9.887 -2.878 1.00 0.63 H new ATOM 259 N PHE A 18 13.607 -4.533 -4.340 1.00 0.41 N ATOM 260 CA PHE A 18 12.763 -3.402 -4.717 1.00 0.37 C ATOM 261 C PHE A 18 12.133 -3.568 -6.103 1.00 0.36 C ATOM 262 O PHE A 18 11.069 -3.012 -6.370 1.00 0.37 O ATOM 263 CB PHE A 18 13.612 -2.124 -4.643 1.00 0.38 C ATOM 264 CG PHE A 18 13.075 -0.949 -5.408 1.00 0.34 C ATOM 265 CD1 PHE A 18 12.008 -0.224 -4.904 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.620 -0.578 -6.624 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.494 0.850 -5.596 1.00 0.37 C ATOM 268 CE2 PHE A 18 13.112 0.499 -7.324 1.00 0.36 C ATOM 269 CZ PHE A 18 12.116 1.231 -6.836 1.00 0.37 C ATOM 0 H PHE A 18 14.585 -4.279 -4.199 1.00 0.41 H new ATOM 0 HA PHE A 18 11.927 -3.343 -4.021 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.716 -1.838 -3.597 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.612 -2.350 -5.013 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.573 -0.505 -3.956 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.451 -1.136 -7.030 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.642 1.395 -5.216 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.532 0.751 -8.286 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.775 2.107 -7.367 1.00 0.37 H new ATOM 279 N TYR A 19 12.767 -4.344 -6.974 1.00 0.38 N ATOM 280 CA TYR A 19 12.258 -4.522 -8.333 1.00 0.41 C ATOM 281 C TYR A 19 11.110 -5.526 -8.390 1.00 0.44 C ATOM 282 O TYR A 19 10.523 -5.746 -9.448 1.00 0.52 O ATOM 283 CB TYR A 19 13.376 -4.936 -9.290 1.00 0.45 C ATOM 284 CG TYR A 19 14.279 -3.790 -9.682 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.755 -2.645 -10.273 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.646 -3.846 -9.458 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.571 -1.592 -10.632 1.00 0.56 C ATOM 288 CE2 TYR A 19 16.468 -2.795 -9.815 1.00 0.64 C ATOM 289 CZ TYR A 19 15.927 -1.673 -10.401 1.00 0.57 C ATOM 290 OH TYR A 19 16.743 -0.625 -10.757 1.00 0.65 O ATOM 0 H TYR A 19 13.625 -4.856 -6.769 1.00 0.38 H new ATOM 0 HA TYR A 19 11.866 -3.556 -8.652 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.974 -5.718 -8.823 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.935 -5.366 -10.189 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.692 -2.579 -10.454 1.00 0.52 H new ATOM 0 HD2 TYR A 19 16.074 -4.724 -8.998 1.00 0.58 H new ATOM 0 HE1 TYR A 19 14.150 -0.710 -11.091 1.00 0.56 H new ATOM 0 HE2 TYR A 19 17.531 -2.853 -9.635 1.00 0.64 H new ATOM 0 HH TYR A 19 17.671 -0.840 -10.526 1.00 0.65 H new ATOM 300 N ASN A 20 10.793 -6.130 -7.258 1.00 0.44 N ATOM 301 CA ASN A 20 9.627 -6.994 -7.169 1.00 0.48 C ATOM 302 C ASN A 20 8.394 -6.136 -6.880 1.00 0.42 C ATOM 303 O ASN A 20 8.486 -5.141 -6.167 1.00 0.52 O ATOM 304 CB ASN A 20 9.846 -8.085 -6.099 1.00 0.61 C ATOM 305 CG ASN A 20 8.666 -8.278 -5.161 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.697 -8.957 -5.490 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.763 -7.711 -3.966 1.00 0.69 N ATOM 0 H ASN A 20 11.323 -6.039 -6.391 1.00 0.44 H new ATOM 0 HA ASN A 20 9.468 -7.511 -8.115 1.00 0.48 H new ATOM 0 HB2 ASN A 20 10.059 -9.031 -6.598 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.727 -7.830 -5.510 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.016 -7.832 -3.282 1.00 0.69 H new ATOM 0 HD22 ASN A 20 9.585 -7.154 -3.731 1.00 0.69 H new ATOM 314 N PRO A 21 7.237 -6.472 -7.464 1.00 0.41 N ATOM 315 CA PRO A 21 6.017 -5.674 -7.310 1.00 0.38 C ATOM 316 C PRO A 21 5.472 -5.699 -5.882 1.00 0.35 C ATOM 317 O PRO A 21 5.707 -6.645 -5.130 1.00 0.42 O ATOM 318 CB PRO A 21 5.012 -6.340 -8.262 1.00 0.44 C ATOM 319 CG PRO A 21 5.809 -7.268 -9.116 1.00 0.62 C ATOM 320 CD PRO A 21 7.020 -7.649 -8.314 1.00 0.57 C ATOM 0 HA PRO A 21 6.206 -4.623 -7.531 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.247 -6.882 -7.706 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.497 -5.596 -8.869 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.225 -8.150 -9.381 1.00 0.62 H new ATOM 0 HG3 PRO A 21 6.098 -6.785 -10.050 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.846 -8.548 -7.722 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.880 -7.850 -8.953 1.00 0.57 H new ATOM 328 N PHE A 22 4.775 -4.638 -5.498 1.00 0.33 N ATOM 329 CA PHE A 22 4.023 -4.640 -4.253 1.00 0.34 C ATOM 330 C PHE A 22 2.816 -5.555 -4.401 1.00 0.33 C ATOM 331 O PHE A 22 1.784 -5.164 -4.951 1.00 0.41 O ATOM 332 CB PHE A 22 3.581 -3.227 -3.857 1.00 0.37 C ATOM 333 CG PHE A 22 4.675 -2.399 -3.242 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.939 -2.469 -1.885 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.443 -1.550 -4.028 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.947 -1.709 -1.322 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.450 -0.788 -3.469 1.00 0.57 C ATOM 338 CZ PHE A 22 6.691 -0.871 -2.093 1.00 0.58 C ATOM 0 H PHE A 22 4.715 -3.769 -6.029 1.00 0.33 H new ATOM 0 HA PHE A 22 4.670 -5.009 -3.457 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.203 -2.714 -4.741 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.753 -3.300 -3.152 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.351 -3.124 -1.259 1.00 0.43 H new ATOM 0 HD2 PHE A 22 5.251 -1.485 -5.089 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.145 -1.781 -0.263 1.00 0.53 H new ATOM 0 HE2 PHE A 22 7.046 -0.134 -4.088 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.467 -0.270 -1.643 1.00 0.58 H new ATOM 348 N GLN A 23 2.984 -6.782 -3.946 1.00 0.31 N ATOM 349 CA GLN A 23 1.984 -7.821 -4.105 1.00 0.34 C ATOM 350 C GLN A 23 1.112 -7.943 -2.860 1.00 0.33 C ATOM 351 O GLN A 23 1.583 -8.350 -1.795 1.00 0.38 O ATOM 352 CB GLN A 23 2.691 -9.143 -4.416 1.00 0.45 C ATOM 353 CG GLN A 23 1.783 -10.355 -4.402 1.00 0.97 C ATOM 354 CD GLN A 23 2.457 -11.597 -4.946 1.00 0.90 C ATOM 355 OE1 GLN A 23 3.760 -11.701 -4.745 1.00 1.41 O flip ATOM 356 NE2 GLN A 23 1.809 -12.461 -5.540 1.00 1.13 N flip ATOM 0 H GLN A 23 3.823 -7.088 -3.453 1.00 0.31 H new ATOM 0 HA GLN A 23 1.322 -7.561 -4.931 1.00 0.34 H new ATOM 0 HB2 GLN A 23 3.162 -9.068 -5.396 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.490 -9.294 -3.690 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.452 -10.544 -3.381 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.891 -10.143 -4.992 1.00 0.97 H new ATOM 0 HE21 GLN A 23 0.805 -12.343 -5.674 1.00 1.13 H new ATOM 0 HE22 GLN A 23 2.277 -13.294 -5.897 1.00 1.13 H new ATOM 365 N PHE A 24 -0.152 -7.572 -3.001 1.00 0.31 N ATOM 366 CA PHE A 24 -1.108 -7.665 -1.909 1.00 0.33 C ATOM 367 C PHE A 24 -2.246 -8.606 -2.269 1.00 0.36 C ATOM 368 O PHE A 24 -2.703 -8.629 -3.407 1.00 0.50 O ATOM 369 CB PHE A 24 -1.694 -6.289 -1.577 1.00 0.31 C ATOM 370 CG PHE A 24 -0.698 -5.311 -1.033 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.428 -5.257 0.322 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.023 -4.452 -1.882 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.497 -4.362 0.824 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.902 -3.552 -1.387 1.00 0.32 C ATOM 375 CZ PHE A 24 1.137 -3.489 -0.019 1.00 0.30 C ATOM 0 H PHE A 24 -0.541 -7.201 -3.868 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.574 -8.051 -1.041 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.142 -5.871 -2.478 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.497 -6.414 -0.851 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.947 -5.923 0.996 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.221 -4.485 -2.943 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.717 -4.350 1.881 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.440 -2.901 -2.060 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.822 -2.755 0.380 1.00 0.30 H new ATOM 385 N GLU A 25 -2.699 -9.375 -1.299 1.00 0.31 N ATOM 386 CA GLU A 25 -3.878 -10.197 -1.469 1.00 0.34 C ATOM 387 C GLU A 25 -4.975 -9.622 -0.595 1.00 0.32 C ATOM 388 O GLU A 25 -4.939 -9.744 0.632 1.00 0.35 O ATOM 389 CB GLU A 25 -3.580 -11.660 -1.113 1.00 0.43 C ATOM 390 CG GLU A 25 -4.671 -12.643 -1.520 1.00 0.97 C ATOM 391 CD GLU A 25 -5.746 -12.810 -0.460 1.00 1.43 C ATOM 392 OE1 GLU A 25 -5.600 -13.687 0.412 1.00 1.72 O ATOM 393 OE2 GLU A 25 -6.739 -12.049 -0.497 1.00 1.98 O ATOM 0 H GLU A 25 -2.264 -9.447 -0.379 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.199 -10.190 -2.511 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.646 -11.954 -1.592 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.424 -11.735 -0.037 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.132 -12.302 -2.447 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -4.219 -13.613 -1.727 1.00 0.97 H new ATOM 400 N ILE A 26 -5.907 -8.936 -1.230 1.00 0.30 N ATOM 401 CA ILE A 26 -6.959 -8.236 -0.521 1.00 0.30 C ATOM 402 C ILE A 26 -8.300 -8.943 -0.674 1.00 0.29 C ATOM 403 O ILE A 26 -8.901 -8.941 -1.750 1.00 0.32 O ATOM 404 CB ILE A 26 -7.102 -6.791 -1.034 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.749 -6.077 -1.020 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.111 -6.026 -0.189 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.757 -4.753 -1.754 1.00 0.29 C ATOM 0 H ILE A 26 -5.955 -8.849 -2.245 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.677 -8.226 0.532 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.462 -6.826 -2.062 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.447 -5.908 0.014 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -4.999 -6.728 -1.469 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.201 -5.006 -0.564 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.081 -6.520 -0.245 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.774 -6.003 0.847 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.766 -4.303 -1.703 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.028 -4.917 -2.797 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.483 -4.085 -1.291 1.00 0.29 H new ATOM 419 N THR A 27 -8.753 -9.553 0.402 1.00 0.31 N ATOM 420 CA THR A 27 -10.092 -10.095 0.459 1.00 0.30 C ATOM 421 C THR A 27 -10.988 -9.160 1.269 1.00 0.27 C ATOM 422 O THR A 27 -10.878 -9.081 2.501 1.00 0.29 O ATOM 423 CB THR A 27 -10.104 -11.497 1.098 1.00 0.36 C ATOM 424 OG1 THR A 27 -9.219 -12.376 0.389 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.511 -12.087 1.103 1.00 0.34 C ATOM 0 H THR A 27 -8.208 -9.686 1.254 1.00 0.31 H new ATOM 0 HA THR A 27 -10.466 -10.182 -0.561 1.00 0.30 H new ATOM 0 HB THR A 27 -9.765 -11.395 2.129 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.326 -11.976 0.346 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.489 -13.076 1.560 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.175 -11.438 1.674 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.875 -12.168 0.079 1.00 0.34 H new ATOM 433 N PHE A 28 -11.861 -8.442 0.579 1.00 0.23 N ATOM 434 CA PHE A 28 -12.784 -7.539 1.230 1.00 0.22 C ATOM 435 C PHE A 28 -14.200 -8.038 1.027 1.00 0.21 C ATOM 436 O PHE A 28 -14.570 -8.456 -0.071 1.00 0.20 O ATOM 437 CB PHE A 28 -12.628 -6.109 0.694 1.00 0.21 C ATOM 438 CG PHE A 28 -13.007 -5.934 -0.754 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.186 -6.402 -1.769 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.186 -5.289 -1.098 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.536 -6.231 -3.096 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.538 -5.113 -2.422 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.713 -5.585 -3.421 1.00 0.28 C ATOM 0 H PHE A 28 -11.946 -8.471 -0.437 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.561 -7.514 2.297 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.240 -5.440 1.299 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.592 -5.798 0.824 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.263 -6.905 -1.520 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.838 -4.919 -0.320 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.890 -6.602 -3.878 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.458 -4.607 -2.674 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.987 -5.450 -4.457 1.00 0.28 H new ATOM 453 N GLU A 29 -14.982 -8.018 2.079 1.00 0.22 N ATOM 454 CA GLU A 29 -16.326 -8.534 2.007 1.00 0.23 C ATOM 455 C GLU A 29 -17.312 -7.390 1.917 1.00 0.25 C ATOM 456 O GLU A 29 -17.439 -6.585 2.842 1.00 0.29 O ATOM 457 CB GLU A 29 -16.621 -9.414 3.218 1.00 0.26 C ATOM 458 CG GLU A 29 -17.888 -10.236 3.090 1.00 0.33 C ATOM 459 CD GLU A 29 -18.095 -11.156 4.273 1.00 0.41 C ATOM 460 OE1 GLU A 29 -17.101 -11.734 4.769 1.00 0.67 O ATOM 461 OE2 GLU A 29 -19.248 -11.297 4.725 1.00 0.77 O ATOM 0 H GLU A 29 -14.712 -7.651 2.992 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.426 -9.148 1.112 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.779 -10.087 3.379 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.698 -8.782 4.103 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.744 -9.568 2.997 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -17.844 -10.827 2.175 1.00 0.33 H new ATOM 468 N CYS A 30 -17.974 -7.299 0.782 1.00 0.24 N ATOM 469 CA CYS A 30 -18.994 -6.299 0.591 1.00 0.28 C ATOM 470 C CYS A 30 -20.243 -6.721 1.343 1.00 0.33 C ATOM 471 O CYS A 30 -20.848 -7.750 1.040 1.00 0.35 O ATOM 472 CB CYS A 30 -19.305 -6.124 -0.892 1.00 0.29 C ATOM 473 SG CYS A 30 -17.849 -5.843 -1.924 1.00 0.51 S ATOM 0 H CYS A 30 -17.821 -7.909 -0.021 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.638 -5.343 0.975 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.825 -7.013 -1.250 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -19.989 -5.284 -1.012 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.121 -6.162 -3.154 1.00 0.51 H new ATOM 479 N ILE A 31 -20.607 -5.938 2.340 1.00 0.39 N ATOM 480 CA ILE A 31 -21.757 -6.245 3.163 1.00 0.45 C ATOM 481 C ILE A 31 -23.026 -5.873 2.408 1.00 0.48 C ATOM 482 O ILE A 31 -24.098 -6.432 2.638 1.00 0.53 O ATOM 483 CB ILE A 31 -21.684 -5.491 4.513 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.305 -5.702 5.155 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.786 -5.962 5.451 1.00 0.57 C ATOM 486 CD1 ILE A 31 -20.142 -5.018 6.499 1.00 0.52 C ATOM 0 H ILE A 31 -20.119 -5.081 2.599 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.767 -7.313 3.381 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.828 -4.427 4.328 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.133 -6.771 5.279 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.538 -5.332 4.475 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.717 -5.420 6.394 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.758 -5.774 4.994 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.673 -7.030 5.637 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -19.143 -5.214 6.888 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.281 -3.944 6.380 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.885 -5.405 7.197 1.00 0.52 H new ATOM 498 N GLU A 32 -22.872 -4.945 1.470 1.00 0.49 N ATOM 499 CA GLU A 32 -23.970 -4.491 0.631 1.00 0.53 C ATOM 500 C GLU A 32 -23.451 -4.196 -0.772 1.00 0.52 C ATOM 501 O GLU A 32 -22.257 -4.337 -1.036 1.00 0.51 O ATOM 502 CB GLU A 32 -24.621 -3.240 1.223 1.00 0.60 C ATOM 503 CG GLU A 32 -25.191 -3.445 2.617 1.00 0.84 C ATOM 504 CD GLU A 32 -25.890 -2.217 3.150 1.00 1.25 C ATOM 505 OE1 GLU A 32 -25.199 -1.285 3.606 1.00 1.83 O ATOM 506 OE2 GLU A 32 -27.135 -2.180 3.126 1.00 1.53 O ATOM 0 H GLU A 32 -21.982 -4.488 1.272 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.723 -5.277 0.582 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.882 -2.439 1.257 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.420 -2.909 0.559 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -25.894 -4.278 2.598 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.385 -3.723 3.297 1.00 0.84 H new ATOM 513 N ASP A 33 -24.345 -3.790 -1.661 1.00 0.62 N ATOM 514 CA ASP A 33 -23.972 -3.462 -3.033 1.00 0.65 C ATOM 515 C ASP A 33 -23.644 -1.978 -3.156 1.00 0.65 C ATOM 516 O ASP A 33 -24.325 -1.131 -2.568 1.00 0.79 O ATOM 517 CB ASP A 33 -25.105 -3.840 -3.992 1.00 0.76 C ATOM 518 CG ASP A 33 -24.886 -3.337 -5.406 1.00 1.44 C ATOM 519 OD1 ASP A 33 -23.964 -3.824 -6.084 1.00 2.18 O ATOM 520 OD2 ASP A 33 -25.661 -2.464 -5.851 1.00 2.01 O ATOM 0 H ASP A 33 -25.338 -3.679 -1.458 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.083 -4.034 -3.299 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -25.209 -4.925 -4.012 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -26.044 -3.437 -3.612 1.00 0.76 H new ATOM 525 N LEU A 34 -22.593 -1.667 -3.901 1.00 0.57 N ATOM 526 CA LEU A 34 -22.178 -0.287 -4.103 1.00 0.57 C ATOM 527 C LEU A 34 -22.556 0.176 -5.502 1.00 0.64 C ATOM 528 O LEU A 34 -22.280 -0.509 -6.486 1.00 0.71 O ATOM 529 CB LEU A 34 -20.665 -0.129 -3.906 1.00 0.55 C ATOM 530 CG LEU A 34 -20.154 -0.181 -2.459 1.00 0.81 C ATOM 531 CD1 LEU A 34 -20.337 -1.564 -1.850 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.690 0.223 -2.410 1.00 1.41 C ATOM 0 H LEU A 34 -22.010 -2.355 -4.377 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.692 0.327 -3.363 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.163 -0.913 -4.473 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.362 0.823 -4.341 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.743 0.522 -1.870 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.964 -1.563 -0.826 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -21.395 -1.825 -1.851 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.783 -2.296 -2.437 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -18.336 0.183 -1.380 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -18.103 -0.462 -3.022 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -18.580 1.238 -2.793 1.00 1.41 H new ATOM 544 N SER A 35 -23.182 1.339 -5.586 1.00 0.75 N ATOM 545 CA SER A 35 -23.580 1.892 -6.869 1.00 0.89 C ATOM 546 C SER A 35 -22.395 2.597 -7.524 1.00 0.75 C ATOM 547 O SER A 35 -22.255 2.608 -8.747 1.00 0.92 O ATOM 548 CB SER A 35 -24.751 2.861 -6.682 1.00 1.14 C ATOM 549 OG SER A 35 -25.354 3.190 -7.924 1.00 1.55 O ATOM 0 H SER A 35 -23.425 1.917 -4.782 1.00 0.75 H new ATOM 0 HA SER A 35 -23.904 1.082 -7.523 1.00 0.89 H new ATOM 0 HB2 SER A 35 -25.494 2.413 -6.022 1.00 1.14 H new ATOM 0 HB3 SER A 35 -24.399 3.770 -6.195 1.00 1.14 H new ATOM 0 HG SER A 35 -26.099 3.809 -7.772 1.00 1.55 H new ATOM 555 N GLU A 36 -21.536 3.171 -6.696 1.00 0.61 N ATOM 556 CA GLU A 36 -20.340 3.839 -7.180 1.00 0.51 C ATOM 557 C GLU A 36 -19.202 2.829 -7.271 1.00 0.44 C ATOM 558 O GLU A 36 -19.274 1.750 -6.679 1.00 0.53 O ATOM 559 CB GLU A 36 -19.967 4.981 -6.233 1.00 0.63 C ATOM 560 CG GLU A 36 -18.922 5.941 -6.780 1.00 1.48 C ATOM 561 CD GLU A 36 -18.572 7.029 -5.790 1.00 2.16 C ATOM 562 OE1 GLU A 36 -19.263 8.070 -5.773 1.00 2.46 O ATOM 563 OE2 GLU A 36 -17.603 6.850 -5.023 1.00 2.95 O ATOM 0 H GLU A 36 -21.646 3.187 -5.682 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.525 4.256 -8.170 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.868 5.545 -5.992 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.598 4.556 -5.300 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -18.021 5.385 -7.040 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -19.293 6.394 -7.699 1.00 1.48 H new ATOM 570 N ASP A 37 -18.161 3.172 -8.009 1.00 0.37 N ATOM 571 CA ASP A 37 -17.014 2.292 -8.154 1.00 0.36 C ATOM 572 C ASP A 37 -16.023 2.548 -7.033 1.00 0.35 C ATOM 573 O ASP A 37 -15.696 3.693 -6.725 1.00 0.50 O ATOM 574 CB ASP A 37 -16.351 2.457 -9.530 1.00 0.49 C ATOM 575 CG ASP A 37 -15.970 3.886 -9.861 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.852 4.768 -9.814 1.00 1.30 O ATOM 577 OD2 ASP A 37 -14.774 4.142 -10.113 1.00 1.88 O ATOM 0 H ASP A 37 -18.086 4.053 -8.517 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.359 1.260 -8.087 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.457 1.835 -9.568 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -17.031 2.086 -10.297 1.00 0.49 H new ATOM 582 N LEU A 38 -15.561 1.473 -6.413 1.00 0.30 N ATOM 583 CA LEU A 38 -14.701 1.581 -5.244 1.00 0.31 C ATOM 584 C LEU A 38 -13.264 1.824 -5.679 1.00 0.28 C ATOM 585 O LEU A 38 -12.717 1.071 -6.491 1.00 0.29 O ATOM 586 CB LEU A 38 -14.805 0.297 -4.402 1.00 0.39 C ATOM 587 CG LEU A 38 -14.480 0.435 -2.905 1.00 0.42 C ATOM 588 CD1 LEU A 38 -13.005 0.726 -2.673 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.336 1.525 -2.284 1.00 1.32 C ATOM 0 H LEU A 38 -15.767 0.516 -6.700 1.00 0.30 H new ATOM 0 HA LEU A 38 -15.023 2.424 -4.633 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.818 -0.093 -4.497 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.135 -0.448 -4.830 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.706 -0.518 -2.426 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -12.816 0.816 -1.603 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.405 -0.088 -3.080 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -12.736 1.658 -3.169 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.098 1.615 -1.224 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.135 2.473 -2.782 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.390 1.270 -2.399 1.00 1.32 H new ATOM 601 N GLU A 39 -12.665 2.885 -5.148 1.00 0.30 N ATOM 602 CA GLU A 39 -11.297 3.232 -5.489 1.00 0.32 C ATOM 603 C GLU A 39 -10.308 2.593 -4.527 1.00 0.31 C ATOM 604 O GLU A 39 -10.324 2.867 -3.327 1.00 0.43 O ATOM 605 CB GLU A 39 -11.091 4.749 -5.487 1.00 0.42 C ATOM 606 CG GLU A 39 -9.670 5.145 -5.857 1.00 0.50 C ATOM 607 CD GLU A 39 -9.416 6.632 -5.763 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.182 7.130 -4.644 1.00 0.73 O ATOM 609 OE2 GLU A 39 -9.489 7.323 -6.797 1.00 0.92 O ATOM 0 H GLU A 39 -13.108 3.517 -4.481 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.115 2.849 -6.493 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.787 5.208 -6.189 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.329 5.143 -4.499 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.973 4.623 -5.201 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.461 4.812 -6.874 1.00 0.50 H new ATOM 616 N TRP A 40 -9.465 1.733 -5.064 1.00 0.24 N ATOM 617 CA TRP A 40 -8.360 1.172 -4.312 1.00 0.23 C ATOM 618 C TRP A 40 -7.069 1.861 -4.723 1.00 0.24 C ATOM 619 O TRP A 40 -6.585 1.670 -5.836 1.00 0.28 O ATOM 620 CB TRP A 40 -8.250 -0.333 -4.564 1.00 0.24 C ATOM 621 CG TRP A 40 -9.461 -1.097 -4.133 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.613 -1.282 -4.841 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.638 -1.782 -2.892 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.500 -2.030 -4.109 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.924 -2.350 -2.910 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.834 -1.968 -1.766 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.424 -3.088 -1.845 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.332 -2.703 -0.709 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.617 -3.254 -0.755 1.00 0.40 C ATOM 0 H TRP A 40 -9.526 1.405 -6.028 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.537 1.332 -3.248 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.081 -0.505 -5.627 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.378 -0.720 -4.036 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.799 -0.896 -5.832 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.436 -2.303 -4.409 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.841 -1.545 -1.723 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.415 -3.515 -1.877 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.720 -2.855 0.168 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -10.979 -3.823 0.089 1.00 0.40 H new ATOM 640 N LYS A 41 -6.524 2.671 -3.840 1.00 0.25 N ATOM 641 CA LYS A 41 -5.281 3.369 -4.121 1.00 0.25 C ATOM 642 C LYS A 41 -4.147 2.817 -3.281 1.00 0.23 C ATOM 643 O LYS A 41 -4.295 2.627 -2.078 1.00 0.27 O ATOM 644 CB LYS A 41 -5.413 4.870 -3.841 1.00 0.37 C ATOM 645 CG LYS A 41 -5.770 5.711 -5.056 1.00 0.63 C ATOM 646 CD LYS A 41 -5.372 7.156 -4.839 1.00 0.65 C ATOM 647 CE LYS A 41 -5.664 8.008 -6.060 1.00 1.03 C ATOM 648 NZ LYS A 41 -7.051 8.544 -6.070 1.00 1.23 N ATOM 0 H LYS A 41 -6.920 2.864 -2.920 1.00 0.25 H new ATOM 0 HA LYS A 41 -5.062 3.216 -5.178 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.175 5.018 -3.076 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -4.472 5.233 -3.428 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.265 5.318 -5.938 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.841 5.648 -5.247 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -5.909 7.556 -3.979 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.309 7.209 -4.604 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -4.958 8.838 -6.095 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -5.503 7.414 -6.959 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.604 8.062 -6.807 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -7.493 8.381 -5.143 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -7.027 9.565 -6.267 1.00 1.23 H new ATOM 662 N ILE A 42 -3.016 2.558 -3.910 1.00 0.22 N ATOM 663 CA ILE A 42 -1.812 2.260 -3.161 1.00 0.24 C ATOM 664 C ILE A 42 -0.898 3.471 -3.187 1.00 0.25 C ATOM 665 O ILE A 42 -0.134 3.677 -4.132 1.00 0.31 O ATOM 666 CB ILE A 42 -1.052 1.020 -3.686 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.892 -0.248 -3.496 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.295 0.883 -2.985 1.00 0.37 C ATOM 669 CD1 ILE A 42 -1.081 -1.528 -3.527 1.00 0.46 C ATOM 0 H ILE A 42 -2.907 2.548 -4.924 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.119 2.025 -2.142 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.872 1.153 -4.753 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.418 -0.185 -2.543 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.651 -0.290 -4.277 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.816 0.005 -3.367 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.896 1.773 -3.174 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.137 0.773 -1.912 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.744 -2.382 -3.386 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.576 -1.615 -4.489 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.339 -1.508 -2.728 1.00 0.46 H new ATOM 681 N ILE A 43 -1.031 4.301 -2.173 1.00 0.24 N ATOM 682 CA ILE A 43 -0.203 5.476 -2.041 1.00 0.27 C ATOM 683 C ILE A 43 1.077 5.103 -1.316 1.00 0.26 C ATOM 684 O ILE A 43 1.072 4.842 -0.113 1.00 0.30 O ATOM 685 CB ILE A 43 -0.930 6.597 -1.265 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.286 6.905 -1.909 1.00 0.37 C ATOM 687 CG2 ILE A 43 -0.069 7.853 -1.209 1.00 0.39 C ATOM 688 CD1 ILE A 43 -3.152 7.846 -1.093 1.00 0.69 C ATOM 0 H ILE A 43 -1.712 4.179 -1.423 1.00 0.24 H new ATOM 0 HA ILE A 43 0.022 5.852 -3.039 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.103 6.252 -0.246 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -2.119 7.342 -2.894 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.826 5.970 -2.062 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.597 8.632 -0.659 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.871 7.627 -0.706 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.135 8.199 -2.222 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -4.095 8.016 -1.613 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.351 7.403 -0.117 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.634 8.796 -0.962 1.00 0.69 H new ATOM 700 N TYR A 44 2.167 5.042 -2.054 1.00 0.29 N ATOM 701 CA TYR A 44 3.444 4.713 -1.465 1.00 0.29 C ATOM 702 C TYR A 44 4.144 5.989 -1.041 1.00 0.28 C ATOM 703 O TYR A 44 4.218 6.952 -1.809 1.00 0.33 O ATOM 704 CB TYR A 44 4.310 3.913 -2.447 1.00 0.32 C ATOM 705 CG TYR A 44 5.662 3.518 -1.890 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.777 2.506 -0.944 1.00 0.42 C ATOM 707 CD2 TYR A 44 6.824 4.161 -2.306 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.009 2.144 -0.431 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.059 3.803 -1.797 1.00 0.45 C ATOM 710 CZ TYR A 44 8.149 2.790 -0.873 1.00 0.49 C ATOM 711 OH TYR A 44 9.373 2.436 -0.349 1.00 0.59 O ATOM 0 H TYR A 44 2.192 5.216 -3.059 1.00 0.29 H new ATOM 0 HA TYR A 44 3.282 4.087 -0.588 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.771 3.012 -2.741 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.459 4.504 -3.351 1.00 0.32 H new ATOM 0 HD1 TYR A 44 4.889 1.994 -0.604 1.00 0.42 H new ATOM 0 HD2 TYR A 44 6.760 4.952 -3.038 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.080 1.362 0.310 1.00 0.50 H new ATOM 0 HE2 TYR A 44 8.950 4.318 -2.125 1.00 0.45 H new ATOM 0 HH TYR A 44 10.075 2.980 -0.762 1.00 0.59 H new ATOM 721 N VAL A 45 4.613 6.011 0.193 1.00 0.27 N ATOM 722 CA VAL A 45 5.363 7.144 0.697 1.00 0.28 C ATOM 723 C VAL A 45 6.615 7.345 -0.140 1.00 0.30 C ATOM 724 O VAL A 45 7.494 6.491 -0.156 1.00 0.36 O ATOM 725 CB VAL A 45 5.767 6.940 2.174 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.607 8.100 2.677 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.541 6.759 3.049 1.00 0.34 C ATOM 0 H VAL A 45 4.487 5.254 0.865 1.00 0.27 H new ATOM 0 HA VAL A 45 4.723 8.024 0.632 1.00 0.28 H new ATOM 0 HB VAL A 45 6.369 6.033 2.230 1.00 0.32 H new ATOM 0 HG11 VAL A 45 6.877 7.929 3.719 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.513 8.181 2.076 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.035 9.025 2.597 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.851 6.617 4.084 1.00 0.34 H new ATOM 0 HG22 VAL A 45 3.909 7.644 2.977 1.00 0.34 H new ATOM 0 HG23 VAL A 45 3.981 5.885 2.715 1.00 0.34 H new ATOM 737 N GLY A 46 6.673 8.448 -0.868 1.00 0.32 N ATOM 738 CA GLY A 46 7.861 8.751 -1.632 1.00 0.39 C ATOM 739 C GLY A 46 9.051 8.947 -0.728 1.00 0.41 C ATOM 740 O GLY A 46 10.069 8.282 -0.878 1.00 0.47 O ATOM 0 H GLY A 46 5.923 9.135 -0.943 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.063 7.941 -2.333 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.697 9.652 -2.223 1.00 0.39 H new ATOM 744 N SER A 47 8.902 9.844 0.232 1.00 0.43 N ATOM 745 CA SER A 47 9.947 10.120 1.187 1.00 0.48 C ATOM 746 C SER A 47 9.387 10.110 2.603 1.00 0.51 C ATOM 747 O SER A 47 8.362 10.735 2.872 1.00 0.49 O ATOM 748 CB SER A 47 10.559 11.485 0.879 1.00 0.53 C ATOM 749 OG SER A 47 11.564 11.831 1.815 1.00 1.23 O ATOM 0 H SER A 47 8.055 10.396 0.366 1.00 0.43 H new ATOM 0 HA SER A 47 10.714 9.349 1.114 1.00 0.48 H new ATOM 0 HB2 SER A 47 10.984 11.475 -0.125 1.00 0.53 H new ATOM 0 HB3 SER A 47 9.777 12.245 0.887 1.00 0.53 H new ATOM 0 HG SER A 47 12.226 12.412 1.385 1.00 1.23 H new ATOM 755 N ALA A 48 10.036 9.383 3.502 1.00 0.62 N ATOM 756 CA ALA A 48 9.709 9.475 4.915 1.00 0.70 C ATOM 757 C ALA A 48 10.329 10.741 5.487 1.00 0.75 C ATOM 758 O ALA A 48 9.953 11.209 6.560 1.00 0.82 O ATOM 759 CB ALA A 48 10.192 8.245 5.666 1.00 0.81 C ATOM 0 H ALA A 48 10.786 8.728 3.279 1.00 0.62 H new ATOM 0 HA ALA A 48 8.626 9.521 5.031 1.00 0.70 H new ATOM 0 HB1 ALA A 48 9.935 8.339 6.721 1.00 0.81 H new ATOM 0 HB2 ALA A 48 9.714 7.356 5.254 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.273 8.157 5.562 1.00 0.81 H new ATOM 765 N GLU A 49 11.271 11.296 4.734 1.00 0.75 N ATOM 766 CA GLU A 49 11.896 12.560 5.076 1.00 0.83 C ATOM 767 C GLU A 49 10.894 13.683 4.817 1.00 0.82 C ATOM 768 O GLU A 49 10.660 14.534 5.674 1.00 0.93 O ATOM 769 CB GLU A 49 13.175 12.730 4.238 1.00 0.90 C ATOM 770 CG GLU A 49 14.149 13.788 4.738 1.00 1.06 C ATOM 771 CD GLU A 49 13.657 15.208 4.545 1.00 1.48 C ATOM 772 OE1 GLU A 49 13.116 15.510 3.459 1.00 1.96 O ATOM 773 OE2 GLU A 49 13.780 16.020 5.486 1.00 1.99 O ATOM 0 H GLU A 49 11.620 10.880 3.871 1.00 0.75 H new ATOM 0 HA GLU A 49 12.179 12.588 6.128 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.694 11.772 4.200 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.889 12.978 3.216 1.00 0.90 H new ATOM 0 HG2 GLU A 49 14.341 13.620 5.798 1.00 1.06 H new ATOM 0 HG3 GLU A 49 15.100 13.668 4.219 1.00 1.06 H new ATOM 780 N SER A 50 10.290 13.665 3.632 1.00 0.74 N ATOM 781 CA SER A 50 9.200 14.569 3.315 1.00 0.79 C ATOM 782 C SER A 50 8.140 13.825 2.517 1.00 0.75 C ATOM 783 O SER A 50 8.315 13.562 1.326 1.00 1.26 O ATOM 784 CB SER A 50 9.710 15.785 2.538 1.00 0.96 C ATOM 785 OG SER A 50 10.633 16.540 3.309 1.00 1.72 O ATOM 0 H SER A 50 10.542 13.029 2.875 1.00 0.74 H new ATOM 0 HA SER A 50 8.758 14.931 4.243 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.188 15.455 1.615 1.00 0.96 H new ATOM 0 HB3 SER A 50 8.868 16.417 2.253 1.00 0.96 H new ATOM 0 HG SER A 50 11.432 16.000 3.483 1.00 1.72 H new ATOM 791 N GLU A 51 7.040 13.481 3.174 1.00 0.78 N ATOM 792 CA GLU A 51 6.020 12.636 2.559 1.00 0.71 C ATOM 793 C GLU A 51 5.164 13.399 1.549 1.00 0.74 C ATOM 794 O GLU A 51 4.223 12.847 0.988 1.00 0.80 O ATOM 795 CB GLU A 51 5.140 11.941 3.615 1.00 0.85 C ATOM 796 CG GLU A 51 4.926 12.722 4.908 1.00 1.46 C ATOM 797 CD GLU A 51 4.232 14.051 4.702 1.00 1.68 C ATOM 798 OE1 GLU A 51 4.919 15.047 4.405 1.00 2.02 O ATOM 799 OE2 GLU A 51 2.989 14.095 4.815 1.00 2.09 O ATOM 0 H GLU A 51 6.830 13.772 4.129 1.00 0.78 H new ATOM 0 HA GLU A 51 6.555 11.862 2.009 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.166 11.733 3.171 1.00 0.85 H new ATOM 0 HB3 GLU A 51 5.590 10.979 3.862 1.00 0.85 H new ATOM 0 HG2 GLU A 51 4.337 12.116 5.596 1.00 1.46 H new ATOM 0 HG3 GLU A 51 5.892 12.895 5.383 1.00 1.46 H new ATOM 806 N GLU A 52 5.512 14.658 1.305 1.00 0.78 N ATOM 807 CA GLU A 52 4.927 15.415 0.200 1.00 0.89 C ATOM 808 C GLU A 52 5.411 14.856 -1.135 1.00 0.78 C ATOM 809 O GLU A 52 4.985 15.293 -2.204 1.00 0.85 O ATOM 810 CB GLU A 52 5.301 16.892 0.301 1.00 1.09 C ATOM 811 CG GLU A 52 4.654 17.610 1.470 1.00 1.70 C ATOM 812 CD GLU A 52 3.142 17.670 1.356 1.00 2.16 C ATOM 813 OE1 GLU A 52 2.625 18.619 0.728 1.00 2.43 O ATOM 814 OE2 GLU A 52 2.463 16.773 1.893 1.00 2.83 O ATOM 0 H GLU A 52 6.196 15.177 1.856 1.00 0.78 H new ATOM 0 HA GLU A 52 3.843 15.321 0.259 1.00 0.89 H new ATOM 0 HB2 GLU A 52 6.384 16.977 0.389 1.00 1.09 H new ATOM 0 HB3 GLU A 52 5.016 17.393 -0.624 1.00 1.09 H new ATOM 0 HG2 GLU A 52 4.925 17.104 2.397 1.00 1.70 H new ATOM 0 HG3 GLU A 52 5.050 18.624 1.533 1.00 1.70 H new ATOM 821 N TYR A 53 6.327 13.899 -1.055 1.00 0.65 N ATOM 822 CA TYR A 53 6.828 13.201 -2.227 1.00 0.61 C ATOM 823 C TYR A 53 6.056 11.902 -2.422 1.00 0.52 C ATOM 824 O TYR A 53 6.529 10.981 -3.087 1.00 0.52 O ATOM 825 CB TYR A 53 8.324 12.912 -2.062 1.00 0.62 C ATOM 826 CG TYR A 53 9.162 14.160 -1.905 1.00 0.82 C ATOM 827 CD1 TYR A 53 8.820 15.331 -2.562 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.296 14.165 -1.103 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.579 16.473 -2.427 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.062 15.304 -0.961 1.00 1.01 C ATOM 831 CZ TYR A 53 10.702 16.451 -1.610 1.00 1.25 C ATOM 832 OH TYR A 53 11.462 17.592 -1.483 1.00 1.48 O ATOM 0 H TYR A 53 6.741 13.587 -0.177 1.00 0.65 H new ATOM 0 HA TYR A 53 6.688 13.829 -3.107 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.469 12.274 -1.191 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.676 12.353 -2.929 1.00 0.62 H new ATOM 0 HD1 TYR A 53 7.943 15.349 -3.191 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.583 13.263 -0.582 1.00 0.83 H new ATOM 0 HE1 TYR A 53 9.303 17.376 -2.951 1.00 1.44 H new ATOM 0 HE2 TYR A 53 11.944 15.289 -0.338 1.00 1.01 H new ATOM 0 HH TYR A 53 12.213 17.419 -0.877 1.00 1.48 H new ATOM 842 N ASP A 54 4.870 11.835 -1.815 1.00 0.52 N ATOM 843 CA ASP A 54 3.996 10.672 -1.921 1.00 0.52 C ATOM 844 C ASP A 54 3.703 10.339 -3.377 1.00 0.57 C ATOM 845 O ASP A 54 3.589 11.229 -4.222 1.00 0.68 O ATOM 846 CB ASP A 54 2.683 10.915 -1.163 1.00 0.65 C ATOM 847 CG ASP A 54 1.902 12.107 -1.690 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.212 13.253 -1.295 1.00 1.22 O ATOM 849 OD2 ASP A 54 0.977 11.906 -2.506 1.00 1.22 O ATOM 0 H ASP A 54 4.491 12.586 -1.238 1.00 0.52 H new ATOM 0 HA ASP A 54 4.512 9.824 -1.472 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.061 10.022 -1.230 1.00 0.65 H new ATOM 0 HB3 ASP A 54 2.904 11.071 -0.107 1.00 0.65 H new ATOM 854 N GLN A 55 3.598 9.056 -3.667 1.00 0.54 N ATOM 855 CA GLN A 55 3.354 8.597 -5.022 1.00 0.60 C ATOM 856 C GLN A 55 2.380 7.426 -5.027 1.00 0.46 C ATOM 857 O GLN A 55 2.675 6.351 -4.499 1.00 0.57 O ATOM 858 CB GLN A 55 4.676 8.204 -5.693 1.00 0.78 C ATOM 859 CG GLN A 55 5.555 7.299 -4.838 1.00 0.87 C ATOM 860 CD GLN A 55 6.833 6.884 -5.540 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.871 6.742 -6.763 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.891 6.683 -4.768 1.00 0.81 N ATOM 0 H GLN A 55 3.678 8.309 -2.978 1.00 0.54 H new ATOM 0 HA GLN A 55 2.905 9.412 -5.589 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.459 7.700 -6.635 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.232 9.109 -5.937 1.00 0.78 H new ATOM 0 HG2 GLN A 55 5.806 7.815 -3.911 1.00 0.87 H new ATOM 0 HG3 GLN A 55 4.991 6.407 -4.563 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.818 6.811 -3.759 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.779 6.400 -5.183 1.00 0.81 H new ATOM 871 N VAL A 56 1.208 7.639 -5.598 1.00 0.41 N ATOM 872 CA VAL A 56 0.252 6.560 -5.737 1.00 0.37 C ATOM 873 C VAL A 56 0.653 5.666 -6.906 1.00 0.36 C ATOM 874 O VAL A 56 0.760 6.116 -8.047 1.00 0.44 O ATOM 875 CB VAL A 56 -1.201 7.069 -5.906 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.315 8.041 -7.065 1.00 0.80 C ATOM 877 CG2 VAL A 56 -2.157 5.900 -6.085 1.00 1.08 C ATOM 0 H VAL A 56 0.900 8.538 -5.968 1.00 0.41 H new ATOM 0 HA VAL A 56 0.270 5.982 -4.813 1.00 0.37 H new ATOM 0 HB VAL A 56 -1.476 7.606 -4.998 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.347 8.379 -7.156 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -0.667 8.899 -6.886 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -1.013 7.545 -7.987 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -3.173 6.276 -6.202 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.875 5.332 -6.972 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -2.108 5.253 -5.209 1.00 1.08 H new ATOM 887 N LEU A 57 0.910 4.410 -6.600 1.00 0.34 N ATOM 888 CA LEU A 57 1.369 3.457 -7.595 1.00 0.39 C ATOM 889 C LEU A 57 0.261 3.141 -8.582 1.00 0.36 C ATOM 890 O LEU A 57 0.371 3.426 -9.776 1.00 0.48 O ATOM 891 CB LEU A 57 1.848 2.181 -6.907 1.00 0.44 C ATOM 892 CG LEU A 57 3.103 2.346 -6.052 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.386 1.080 -5.262 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.287 2.692 -6.935 1.00 0.77 C ATOM 0 H LEU A 57 0.808 4.022 -5.662 1.00 0.34 H new ATOM 0 HA LEU A 57 2.200 3.897 -8.146 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.044 1.801 -6.277 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.041 1.425 -7.668 1.00 0.44 H new ATOM 0 HG LEU A 57 2.938 3.158 -5.344 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.284 1.220 -4.660 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.541 0.863 -4.608 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.536 0.248 -5.950 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.179 2.808 -6.319 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.447 1.892 -7.658 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.087 3.624 -7.463 1.00 0.77 H new ATOM 906 N ASP A 58 -0.811 2.562 -8.079 1.00 0.31 N ATOM 907 CA ASP A 58 -1.949 2.229 -8.913 1.00 0.35 C ATOM 908 C ASP A 58 -3.245 2.536 -8.193 1.00 0.33 C ATOM 909 O ASP A 58 -3.329 2.442 -6.965 1.00 0.33 O ATOM 910 CB ASP A 58 -1.919 0.752 -9.328 1.00 0.43 C ATOM 911 CG ASP A 58 -0.936 0.468 -10.448 1.00 0.71 C ATOM 912 OD1 ASP A 58 -1.238 0.811 -11.611 1.00 0.92 O ATOM 913 OD2 ASP A 58 0.135 -0.114 -10.176 1.00 1.31 O ATOM 0 H ASP A 58 -0.918 2.312 -7.096 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.890 2.841 -9.813 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -1.660 0.143 -8.462 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -2.917 0.449 -9.644 1.00 0.43 H new ATOM 918 N SER A 59 -4.235 2.933 -8.963 1.00 0.42 N ATOM 919 CA SER A 59 -5.572 3.152 -8.458 1.00 0.43 C ATOM 920 C SER A 59 -6.543 2.247 -9.204 1.00 0.46 C ATOM 921 O SER A 59 -6.807 2.439 -10.392 1.00 0.58 O ATOM 922 CB SER A 59 -5.955 4.629 -8.607 1.00 0.52 C ATOM 923 OG SER A 59 -5.455 5.168 -9.823 1.00 1.09 O ATOM 0 H SER A 59 -4.134 3.114 -9.962 1.00 0.42 H new ATOM 0 HA SER A 59 -5.614 2.905 -7.397 1.00 0.43 H new ATOM 0 HB2 SER A 59 -7.040 4.731 -8.580 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.560 5.197 -7.765 1.00 0.52 H new ATOM 0 HG SER A 59 -5.715 6.110 -9.894 1.00 1.09 H new ATOM 929 N VAL A 60 -7.049 1.247 -8.507 1.00 0.39 N ATOM 930 CA VAL A 60 -7.898 0.238 -9.112 1.00 0.45 C ATOM 931 C VAL A 60 -9.359 0.489 -8.763 1.00 0.38 C ATOM 932 O VAL A 60 -9.727 0.566 -7.591 1.00 0.39 O ATOM 933 CB VAL A 60 -7.479 -1.177 -8.656 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.372 -2.244 -9.274 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.022 -1.434 -9.005 1.00 1.11 C ATOM 0 H VAL A 60 -6.884 1.111 -7.510 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.780 0.302 -10.194 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.596 -1.231 -7.574 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.051 -3.229 -8.934 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.405 -2.074 -8.971 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.300 -2.194 -10.360 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.741 -2.435 -8.678 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -5.887 -1.353 -10.084 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.393 -0.698 -8.504 1.00 1.11 H new ATOM 945 N LEU A 61 -10.177 0.636 -9.789 1.00 0.40 N ATOM 946 CA LEU A 61 -11.595 0.911 -9.619 1.00 0.39 C ATOM 947 C LEU A 61 -12.409 -0.317 -9.994 1.00 0.38 C ATOM 948 O LEU A 61 -12.230 -0.867 -11.082 1.00 0.57 O ATOM 949 CB LEU A 61 -12.049 2.079 -10.517 1.00 0.51 C ATOM 950 CG LEU A 61 -11.399 3.449 -10.272 1.00 0.62 C ATOM 951 CD1 LEU A 61 -11.433 3.808 -8.803 1.00 1.31 C ATOM 952 CD2 LEU A 61 -9.976 3.490 -10.806 1.00 1.34 C ATOM 0 H LEU A 61 -9.880 0.569 -10.762 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.755 1.175 -8.574 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.865 1.799 -11.554 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.127 2.192 -10.404 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.980 4.193 -10.818 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -10.967 4.782 -8.656 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -12.467 3.845 -8.461 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -10.889 3.056 -8.232 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.545 4.473 -10.617 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.378 2.729 -10.306 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -9.984 3.298 -11.879 1.00 1.34 H new ATOM 964 N VAL A 62 -13.289 -0.768 -9.111 1.00 0.27 N ATOM 965 CA VAL A 62 -14.243 -1.793 -9.505 1.00 0.27 C ATOM 966 C VAL A 62 -15.665 -1.272 -9.314 1.00 0.26 C ATOM 967 O VAL A 62 -16.187 -1.224 -8.198 1.00 0.30 O ATOM 968 CB VAL A 62 -14.057 -3.090 -8.679 1.00 0.34 C ATOM 969 CG1 VAL A 62 -14.995 -4.183 -9.170 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.607 -3.565 -8.727 1.00 0.59 C ATOM 0 H VAL A 62 -13.362 -0.451 -8.144 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.067 -2.029 -10.555 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.306 -2.866 -7.642 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.846 -5.084 -8.575 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.028 -3.848 -9.070 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.784 -4.400 -10.217 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.503 -4.477 -8.139 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.324 -3.765 -9.760 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -11.957 -2.792 -8.316 1.00 0.59 H new ATOM 980 N GLY A 63 -16.245 -0.817 -10.414 1.00 0.28 N ATOM 981 CA GLY A 63 -17.640 -0.454 -10.462 1.00 0.33 C ATOM 982 C GLY A 63 -18.483 -1.459 -11.240 1.00 0.36 C ATOM 983 O GLY A 63 -18.075 -1.900 -12.316 1.00 0.42 O ATOM 0 H GLY A 63 -15.753 -0.691 -11.299 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -18.025 -0.372 -9.446 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.740 0.530 -10.921 1.00 0.33 H new ATOM 987 N PRO A 64 -19.642 -1.863 -10.723 1.00 0.39 N ATOM 988 CA PRO A 64 -20.014 -1.628 -9.347 1.00 0.39 C ATOM 989 C PRO A 64 -19.478 -2.760 -8.500 1.00 0.38 C ATOM 990 O PRO A 64 -19.061 -3.795 -9.034 1.00 0.41 O ATOM 991 CB PRO A 64 -21.537 -1.646 -9.397 1.00 0.48 C ATOM 992 CG PRO A 64 -21.850 -2.630 -10.467 1.00 0.55 C ATOM 993 CD PRO A 64 -20.713 -2.559 -11.461 1.00 0.48 C ATOM 0 HA PRO A 64 -19.626 -0.703 -8.921 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.964 -1.947 -8.440 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.940 -0.661 -9.630 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -21.943 -3.635 -10.055 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.800 -2.393 -10.946 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.398 -3.553 -11.780 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -21.000 -2.012 -12.359 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.458 -2.592 -7.205 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.910 -3.626 -6.371 1.00 0.40 C ATOM 1003 C VAL A 65 -19.979 -4.141 -5.395 1.00 0.41 C ATOM 1004 O VAL A 65 -20.320 -3.504 -4.401 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.592 -3.143 -5.704 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -17.804 -2.280 -4.481 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -16.680 -4.315 -5.421 1.00 0.95 C ATOM 0 H VAL A 65 -19.806 -1.769 -6.714 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.625 -4.489 -6.972 1.00 0.40 H new ATOM 0 HB VAL A 65 -17.103 -2.488 -6.425 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.838 -1.983 -4.073 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -18.370 -1.390 -4.757 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -18.357 -2.843 -3.730 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -15.762 -3.957 -4.954 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -17.181 -5.012 -4.749 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -16.438 -4.822 -6.355 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.584 -5.290 -5.739 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.741 -5.836 -5.040 1.00 0.48 C ATOM 1019 C PRO A 66 -21.375 -6.686 -3.840 1.00 0.39 C ATOM 1020 O PRO A 66 -20.210 -7.041 -3.648 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.432 -6.701 -6.107 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.517 -6.720 -7.298 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.199 -6.155 -6.851 1.00 0.46 C ATOM 0 HA PRO A 66 -22.364 -5.039 -4.634 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.606 -7.711 -5.735 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.405 -6.287 -6.372 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -21.393 -7.736 -7.673 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.933 -6.128 -8.113 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.509 -6.937 -6.536 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.706 -5.597 -7.647 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.394 -7.025 -3.053 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.217 -7.798 -1.836 1.00 0.36 C ATOM 1033 C ALA A 67 -21.526 -9.123 -2.120 1.00 0.34 C ATOM 1034 O ALA A 67 -21.893 -9.848 -3.048 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.559 -8.034 -1.160 1.00 0.40 C ATOM 0 H ALA A 67 -23.363 -6.770 -3.245 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.579 -7.225 -1.163 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.411 -8.615 -0.249 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.014 -7.076 -0.909 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.216 -8.581 -1.836 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.512 -9.417 -1.333 1.00 0.32 N ATOM 1042 CA GLY A 68 -19.777 -10.648 -1.496 1.00 0.33 C ATOM 1043 C GLY A 68 -18.341 -10.487 -1.071 1.00 0.27 C ATOM 1044 O GLY A 68 -17.817 -9.373 -1.056 1.00 0.26 O ATOM 0 H GLY A 68 -20.180 -8.819 -0.576 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.247 -11.436 -0.907 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -19.817 -10.963 -2.539 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.700 -11.582 -0.722 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.323 -11.528 -0.275 1.00 0.26 C ATOM 1050 C ARG A 69 -15.387 -11.641 -1.466 1.00 0.26 C ATOM 1051 O ARG A 69 -15.124 -12.731 -1.975 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.044 -12.621 0.752 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.742 -12.431 1.508 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.725 -13.293 2.757 1.00 0.48 C ATOM 1055 NE ARG A 69 -13.521 -13.128 3.570 1.00 1.24 N ATOM 1056 CZ ARG A 69 -13.535 -13.019 4.901 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -14.685 -12.856 5.550 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -12.396 -13.044 5.576 1.00 2.78 N ATOM 0 H ARG A 69 -18.107 -12.517 -0.739 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.148 -10.568 0.211 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.867 -12.655 1.466 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.022 -13.586 0.245 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -13.900 -12.692 0.867 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.622 -11.382 1.780 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -15.598 -13.054 3.364 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -14.816 -14.340 2.466 1.00 0.48 H new ATOM 0 HE ARG A 69 -12.620 -13.094 3.094 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -15.562 -12.814 5.031 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -14.690 -12.773 6.567 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -11.511 -13.146 5.079 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -12.404 -12.961 6.593 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.908 -10.496 -1.913 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.074 -10.410 -3.098 1.00 0.24 C ATOM 1074 C HIS A 70 -12.604 -10.554 -2.738 1.00 0.25 C ATOM 1075 O HIS A 70 -12.059 -9.744 -1.988 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.294 -9.071 -3.795 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.581 -8.975 -4.557 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -15.646 -9.015 -5.934 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.857 -8.830 -4.128 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -16.904 -8.904 -6.317 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -17.662 -8.790 -5.241 1.00 0.47 N ATOM 0 H HIS A 70 -15.086 -9.597 -1.464 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.353 -11.223 -3.768 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.268 -8.278 -3.048 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.466 -8.891 -4.480 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -17.182 -8.759 -3.101 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -17.255 -8.906 -7.338 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.677 -8.689 -5.237 1.00 0.47 H new ATOM 1090 N MET A 71 -11.979 -11.590 -3.261 1.00 0.33 N ATOM 1091 CA MET A 71 -10.555 -11.806 -3.065 1.00 0.38 C ATOM 1092 C MET A 71 -9.792 -11.425 -4.325 1.00 0.38 C ATOM 1093 O MET A 71 -9.771 -12.177 -5.300 1.00 0.48 O ATOM 1094 CB MET A 71 -10.283 -13.269 -2.709 1.00 0.47 C ATOM 1095 CG MET A 71 -8.806 -13.616 -2.629 1.00 0.60 C ATOM 1096 SD MET A 71 -8.521 -15.359 -2.270 1.00 0.80 S ATOM 1097 CE MET A 71 -9.403 -16.131 -3.624 1.00 1.80 C ATOM 0 H MET A 71 -12.437 -12.302 -3.830 1.00 0.33 H new ATOM 0 HA MET A 71 -10.216 -11.178 -2.241 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.752 -13.493 -1.751 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.757 -13.909 -3.453 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.325 -13.360 -3.573 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.335 -13.008 -1.856 1.00 0.60 H new ATOM 0 HE1 MET A 71 -9.007 -17.132 -3.793 1.00 1.80 H new ATOM 0 HE2 MET A 71 -10.463 -16.197 -3.377 1.00 1.80 H new ATOM 0 HE3 MET A 71 -9.277 -15.534 -4.527 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.178 -10.255 -4.314 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.428 -9.797 -5.468 1.00 0.31 C ATOM 1109 C PHE A 72 -7.012 -9.418 -5.049 1.00 0.29 C ATOM 1110 O PHE A 72 -6.793 -8.871 -3.966 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.144 -8.621 -6.159 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.905 -7.270 -5.537 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.393 -6.962 -4.276 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.194 -6.302 -6.228 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.170 -5.718 -3.718 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.969 -5.058 -5.674 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.456 -4.766 -4.418 1.00 0.29 C ATOM 0 H PHE A 72 -9.184 -9.609 -3.524 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.366 -10.609 -6.193 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.826 -8.585 -7.201 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.216 -8.819 -6.159 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -9.953 -7.702 -3.724 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.811 -6.524 -7.213 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.554 -5.490 -2.735 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.412 -4.314 -6.224 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.279 -3.794 -3.982 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.053 -9.736 -5.895 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.662 -9.441 -5.605 1.00 0.29 C ATOM 1129 C VAL A 73 -4.240 -8.140 -6.267 1.00 0.30 C ATOM 1130 O VAL A 73 -4.208 -8.023 -7.493 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.719 -10.588 -6.027 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -3.686 -11.668 -4.958 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.156 -11.186 -7.351 1.00 1.00 C ATOM 0 H VAL A 73 -6.210 -10.199 -6.790 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.579 -9.334 -4.523 1.00 0.29 H new ATOM 0 HB VAL A 73 -2.717 -10.175 -6.146 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -3.017 -12.469 -5.271 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -3.328 -11.242 -4.021 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -4.689 -12.069 -4.815 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.477 -11.992 -7.628 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -5.168 -11.581 -7.256 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -4.138 -10.416 -8.122 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.943 -7.157 -5.437 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.517 -5.855 -5.906 1.00 0.25 C ATOM 1145 C PHE A 74 -2.019 -5.896 -6.167 1.00 0.25 C ATOM 1146 O PHE A 74 -1.241 -6.308 -5.304 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.851 -4.790 -4.856 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.848 -3.373 -5.370 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.762 -2.894 -6.085 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.929 -2.530 -5.161 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.754 -1.605 -6.579 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.928 -1.241 -5.653 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.847 -0.744 -6.271 1.00 0.31 C ATOM 0 H PHE A 74 -3.991 -7.240 -4.422 1.00 0.26 H new ATOM 0 HA PHE A 74 -4.038 -5.600 -6.829 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.834 -5.008 -4.438 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.133 -4.867 -4.040 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -1.912 -3.537 -6.258 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.783 -2.887 -4.605 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.934 -1.255 -7.188 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.808 -0.625 -5.539 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.805 0.303 -6.534 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.618 -5.479 -7.356 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.215 -5.517 -7.732 1.00 0.27 C ATOM 1165 C GLN A 75 0.211 -4.181 -8.315 1.00 0.32 C ATOM 1166 O GLN A 75 -0.386 -3.692 -9.278 1.00 0.41 O ATOM 1167 CB GLN A 75 0.054 -6.625 -8.754 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.436 -7.996 -8.323 1.00 0.49 C ATOM 1169 CD GLN A 75 -0.196 -9.061 -9.378 1.00 0.52 C ATOM 1170 OE1 GLN A 75 -0.210 -8.664 -10.644 1.00 1.14 O flip ATOM 1171 NE2 GLN A 75 0.002 -10.234 -9.059 1.00 1.12 N flip ATOM 0 H GLN A 75 -2.241 -5.112 -8.075 1.00 0.24 H new ATOM 0 HA GLN A 75 0.364 -5.724 -6.832 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.425 -6.359 -9.697 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.126 -6.677 -8.944 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.068 -8.284 -7.400 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.502 -7.943 -8.101 1.00 0.49 H new ATOM 0 HE21 GLN A 75 0.005 -10.501 -8.075 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.163 -10.938 -9.779 1.00 1.12 H new ATOM 1180 N ALA A 76 1.232 -3.591 -7.723 1.00 0.36 N ATOM 1181 CA ALA A 76 1.790 -2.347 -8.224 1.00 0.46 C ATOM 1182 C ALA A 76 3.281 -2.517 -8.477 1.00 0.40 C ATOM 1183 O ALA A 76 3.940 -3.298 -7.791 1.00 0.48 O ATOM 1184 CB ALA A 76 1.526 -1.218 -7.245 1.00 0.56 C ATOM 0 H ALA A 76 1.695 -3.955 -6.890 1.00 0.36 H new ATOM 0 HA ALA A 76 1.307 -2.090 -9.167 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.950 -0.292 -7.634 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.451 -1.097 -7.111 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.987 -1.453 -6.286 1.00 0.56 H new ATOM 1190 N ASP A 77 3.812 -1.798 -9.457 1.00 0.56 N ATOM 1191 CA ASP A 77 5.205 -1.979 -9.856 1.00 0.61 C ATOM 1192 C ASP A 77 6.141 -1.218 -8.919 1.00 0.43 C ATOM 1193 O ASP A 77 5.719 -0.733 -7.868 1.00 0.47 O ATOM 1194 CB ASP A 77 5.414 -1.509 -11.298 1.00 0.95 C ATOM 1195 CG ASP A 77 6.406 -2.375 -12.051 1.00 1.54 C ATOM 1196 OD1 ASP A 77 7.625 -2.202 -11.835 1.00 2.06 O ATOM 1197 OD2 ASP A 77 5.982 -3.217 -12.869 1.00 2.13 O ATOM 0 H ASP A 77 3.306 -1.089 -9.988 1.00 0.56 H new ATOM 0 HA ASP A 77 5.439 -3.042 -9.793 1.00 0.61 H new ATOM 0 HB2 ASP A 77 4.458 -1.517 -11.822 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.767 -0.478 -11.294 1.00 0.95 H new ATOM 1202 N ALA A 78 7.408 -1.119 -9.299 1.00 0.45 N ATOM 1203 CA ALA A 78 8.388 -0.418 -8.492 1.00 0.36 C ATOM 1204 C ALA A 78 8.147 1.084 -8.544 1.00 0.37 C ATOM 1205 O ALA A 78 8.058 1.669 -9.626 1.00 0.46 O ATOM 1206 CB ALA A 78 9.796 -0.751 -8.962 1.00 0.40 C ATOM 0 H ALA A 78 7.778 -1.517 -10.162 1.00 0.45 H new ATOM 0 HA ALA A 78 8.283 -0.745 -7.458 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.521 -0.217 -8.347 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.965 -1.824 -8.873 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.913 -0.450 -10.003 1.00 0.40 H new ATOM 1212 N PRO A 79 8.009 1.719 -7.374 1.00 0.34 N ATOM 1213 CA PRO A 79 7.814 3.165 -7.276 1.00 0.43 C ATOM 1214 C PRO A 79 8.990 3.948 -7.854 1.00 0.41 C ATOM 1215 O PRO A 79 10.083 3.409 -8.020 1.00 0.47 O ATOM 1216 CB PRO A 79 7.687 3.418 -5.769 1.00 0.47 C ATOM 1217 CG PRO A 79 8.278 2.217 -5.119 1.00 0.53 C ATOM 1218 CD PRO A 79 8.019 1.074 -6.054 1.00 0.33 C ATOM 0 HA PRO A 79 6.945 3.494 -7.845 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.217 4.325 -5.476 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.645 3.550 -5.479 1.00 0.47 H new ATOM 0 HG2 PRO A 79 9.347 2.350 -4.951 1.00 0.53 H new ATOM 0 HG3 PRO A 79 7.823 2.036 -4.145 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.795 0.312 -5.984 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.070 0.583 -5.838 1.00 0.33 H new ATOM 1226 N ASN A 80 8.755 5.220 -8.147 1.00 0.43 N ATOM 1227 CA ASN A 80 9.770 6.079 -8.748 1.00 0.46 C ATOM 1228 C ASN A 80 11.005 6.177 -7.865 1.00 0.40 C ATOM 1229 O ASN A 80 10.936 6.684 -6.744 1.00 0.39 O ATOM 1230 CB ASN A 80 9.220 7.489 -8.989 1.00 0.56 C ATOM 1231 CG ASN A 80 8.252 7.565 -10.153 1.00 1.33 C ATOM 1232 OD1 ASN A 80 7.534 6.612 -10.451 1.00 2.19 O ATOM 1233 ND2 ASN A 80 8.239 8.703 -10.830 1.00 1.59 N ATOM 0 H ASN A 80 7.863 5.684 -7.977 1.00 0.43 H new ATOM 0 HA ASN A 80 10.047 5.627 -9.701 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.718 7.835 -8.085 1.00 0.56 H new ATOM 0 HB3 ASN A 80 10.052 8.169 -9.172 1.00 0.56 H new ATOM 0 HD21 ASN A 80 7.617 8.813 -11.631 1.00 1.59 H new ATOM 0 HD22 ASN A 80 8.851 9.470 -10.550 1.00 1.59 H new ATOM 1240 N PRO A 81 12.155 5.701 -8.366 1.00 0.41 N ATOM 1241 CA PRO A 81 13.434 5.808 -7.660 1.00 0.41 C ATOM 1242 C PRO A 81 13.909 7.257 -7.567 1.00 0.43 C ATOM 1243 O PRO A 81 14.855 7.570 -6.845 1.00 0.48 O ATOM 1244 CB PRO A 81 14.402 4.981 -8.517 1.00 0.47 C ATOM 1245 CG PRO A 81 13.537 4.178 -9.432 1.00 0.54 C ATOM 1246 CD PRO A 81 12.299 4.994 -9.647 1.00 0.48 C ATOM 0 HA PRO A 81 13.362 5.455 -6.631 1.00 0.41 H new ATOM 0 HB2 PRO A 81 15.077 5.626 -9.080 1.00 0.47 H new ATOM 0 HB3 PRO A 81 15.023 4.335 -7.896 1.00 0.47 H new ATOM 0 HG2 PRO A 81 14.044 3.981 -10.377 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.296 3.210 -8.992 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.409 5.686 -10.482 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.433 4.368 -9.864 1.00 0.48 H new ATOM 1254 N GLY A 82 13.256 8.129 -8.326 1.00 0.45 N ATOM 1255 CA GLY A 82 13.533 9.548 -8.241 1.00 0.49 C ATOM 1256 C GLY A 82 12.692 10.224 -7.176 1.00 0.48 C ATOM 1257 O GLY A 82 12.964 11.358 -6.779 1.00 0.51 O ATOM 0 H GLY A 82 12.536 7.875 -9.002 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.590 9.699 -8.020 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.340 10.014 -9.207 1.00 0.49 H new ATOM 1261 N LEU A 83 11.659 9.526 -6.714 1.00 0.46 N ATOM 1262 CA LEU A 83 10.812 10.035 -5.644 1.00 0.49 C ATOM 1263 C LEU A 83 11.245 9.467 -4.304 1.00 0.46 C ATOM 1264 O LEU A 83 11.068 10.110 -3.270 1.00 0.52 O ATOM 1265 CB LEU A 83 9.338 9.724 -5.907 1.00 0.52 C ATOM 1266 CG LEU A 83 8.591 10.790 -6.710 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.205 10.301 -7.097 1.00 1.60 C ATOM 1268 CD2 LEU A 83 8.495 12.078 -5.908 1.00 1.34 C ATOM 0 H LEU A 83 11.389 8.607 -7.065 1.00 0.46 H new ATOM 0 HA LEU A 83 10.926 11.119 -5.616 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.271 8.775 -6.439 1.00 0.52 H new ATOM 0 HB3 LEU A 83 8.833 9.590 -4.950 1.00 0.52 H new ATOM 0 HG LEU A 83 9.149 10.987 -7.625 1.00 0.58 H new ATOM 0 HD11 LEU A 83 6.692 11.075 -7.667 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.293 9.401 -7.705 1.00 1.60 H new ATOM 0 HD13 LEU A 83 6.634 10.076 -6.196 1.00 1.60 H new ATOM 0 HD21 LEU A 83 7.961 12.830 -6.489 1.00 1.34 H new ATOM 0 HD22 LEU A 83 7.957 11.889 -4.979 1.00 1.34 H new ATOM 0 HD23 LEU A 83 9.497 12.440 -5.680 1.00 1.34 H new ATOM 1280 N ILE A 84 11.805 8.260 -4.316 1.00 0.41 N ATOM 1281 CA ILE A 84 12.396 7.707 -3.111 1.00 0.40 C ATOM 1282 C ILE A 84 13.745 8.377 -2.868 1.00 0.46 C ATOM 1283 O ILE A 84 14.684 8.209 -3.647 1.00 0.52 O ATOM 1284 CB ILE A 84 12.568 6.178 -3.195 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.233 5.513 -3.536 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.100 5.638 -1.878 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.309 4.003 -3.604 1.00 0.33 C ATOM 0 H ILE A 84 11.860 7.657 -5.137 1.00 0.41 H new ATOM 0 HA ILE A 84 11.721 7.905 -2.279 1.00 0.40 H new ATOM 0 HB ILE A 84 13.284 5.949 -3.984 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.493 5.798 -2.788 1.00 0.34 H new ATOM 0 HG13 ILE A 84 10.881 5.894 -4.494 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.218 4.557 -1.949 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.066 6.095 -1.661 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.399 5.875 -1.078 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.327 3.600 -3.850 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.025 3.709 -4.372 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.631 3.611 -2.639 1.00 0.33 H new ATOM 1299 N PRO A 85 13.845 9.154 -1.785 1.00 0.48 N ATOM 1300 CA PRO A 85 15.001 10.005 -1.520 1.00 0.57 C ATOM 1301 C PRO A 85 16.243 9.210 -1.150 1.00 0.56 C ATOM 1302 O PRO A 85 16.161 8.150 -0.528 1.00 0.55 O ATOM 1303 CB PRO A 85 14.543 10.870 -0.348 1.00 0.68 C ATOM 1304 CG PRO A 85 13.521 10.044 0.347 1.00 0.81 C ATOM 1305 CD PRO A 85 12.840 9.240 -0.716 1.00 0.50 C ATOM 0 HA PRO A 85 15.293 10.578 -2.400 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.374 11.113 0.314 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.123 11.815 -0.692 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.985 9.394 1.089 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.806 10.674 0.877 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.557 8.252 -0.352 1.00 0.50 H new ATOM 0 HD3 PRO A 85 11.927 9.725 -1.062 1.00 0.50 H new ATOM 1313 N ASP A 86 17.391 9.757 -1.512 1.00 0.67 N ATOM 1314 CA ASP A 86 18.673 9.100 -1.311 1.00 0.76 C ATOM 1315 C ASP A 86 18.944 8.804 0.162 1.00 0.78 C ATOM 1316 O ASP A 86 19.489 7.758 0.501 1.00 0.86 O ATOM 1317 CB ASP A 86 19.802 9.958 -1.897 1.00 0.98 C ATOM 1318 CG ASP A 86 19.784 11.398 -1.411 1.00 1.52 C ATOM 1319 OD1 ASP A 86 18.765 12.089 -1.615 1.00 2.29 O ATOM 1320 OD2 ASP A 86 20.791 11.848 -0.832 1.00 1.92 O ATOM 0 H ASP A 86 17.461 10.673 -1.955 1.00 0.67 H new ATOM 0 HA ASP A 86 18.636 8.143 -1.832 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.761 9.508 -1.639 1.00 0.98 H new ATOM 0 HB3 ASP A 86 19.728 9.949 -2.984 1.00 0.98 H new ATOM 1325 N ALA A 87 18.547 9.714 1.034 1.00 0.83 N ATOM 1326 CA ALA A 87 18.808 9.557 2.459 1.00 0.99 C ATOM 1327 C ALA A 87 17.799 8.631 3.139 1.00 0.90 C ATOM 1328 O ALA A 87 18.087 8.067 4.195 1.00 1.07 O ATOM 1329 CB ALA A 87 18.808 10.914 3.143 1.00 1.25 C ATOM 0 H ALA A 87 18.045 10.566 0.785 1.00 0.83 H new ATOM 0 HA ALA A 87 19.790 9.094 2.556 1.00 0.99 H new ATOM 0 HB1 ALA A 87 19.004 10.785 4.207 1.00 1.25 H new ATOM 0 HB2 ALA A 87 19.583 11.542 2.705 1.00 1.25 H new ATOM 0 HB3 ALA A 87 17.837 11.389 3.008 1.00 1.25 H new ATOM 1335 N ASP A 88 16.625 8.467 2.541 1.00 0.76 N ATOM 1336 CA ASP A 88 15.536 7.756 3.204 1.00 0.78 C ATOM 1337 C ASP A 88 15.288 6.368 2.602 1.00 0.62 C ATOM 1338 O ASP A 88 14.677 5.512 3.239 1.00 0.64 O ATOM 1339 CB ASP A 88 14.271 8.606 3.137 1.00 0.99 C ATOM 1340 CG ASP A 88 13.085 7.950 3.796 1.00 1.41 C ATOM 1341 OD1 ASP A 88 13.161 7.669 5.008 1.00 1.68 O ATOM 1342 OD2 ASP A 88 12.069 7.734 3.104 1.00 1.94 O ATOM 0 H ASP A 88 16.403 8.812 1.607 1.00 0.76 H new ATOM 0 HA ASP A 88 15.822 7.594 4.243 1.00 0.78 H new ATOM 0 HB2 ASP A 88 14.460 9.567 3.615 1.00 0.99 H new ATOM 0 HB3 ASP A 88 14.032 8.811 2.093 1.00 0.99 H new ATOM 1347 N ALA A 89 15.778 6.142 1.385 1.00 0.54 N ATOM 1348 CA ALA A 89 15.601 4.855 0.713 1.00 0.49 C ATOM 1349 C ALA A 89 16.186 3.707 1.529 1.00 0.44 C ATOM 1350 O ALA A 89 15.688 2.587 1.488 1.00 0.51 O ATOM 1351 CB ALA A 89 16.234 4.883 -0.667 1.00 0.48 C ATOM 0 H ALA A 89 16.300 6.832 0.844 1.00 0.54 H new ATOM 0 HA ALA A 89 14.529 4.686 0.613 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.092 3.917 -1.152 1.00 0.48 H new ATOM 0 HB2 ALA A 89 15.764 5.663 -1.267 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.300 5.089 -0.574 1.00 0.48 H new ATOM 1357 N VAL A 90 17.241 4.000 2.274 1.00 0.41 N ATOM 1358 CA VAL A 90 17.906 3.001 3.098 1.00 0.43 C ATOM 1359 C VAL A 90 17.304 3.007 4.511 1.00 0.43 C ATOM 1360 O VAL A 90 18.017 2.925 5.514 1.00 0.49 O ATOM 1361 CB VAL A 90 19.426 3.268 3.180 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.164 2.030 3.669 1.00 0.56 C ATOM 1363 CG2 VAL A 90 19.972 3.720 1.835 1.00 0.54 C ATOM 0 H VAL A 90 17.658 4.929 2.325 1.00 0.41 H new ATOM 0 HA VAL A 90 17.754 2.025 2.638 1.00 0.43 H new ATOM 0 HB VAL A 90 19.589 4.071 3.899 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.232 2.240 3.719 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.801 1.757 4.660 1.00 0.56 H new ATOM 0 HG13 VAL A 90 19.988 1.205 2.978 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.043 3.901 1.920 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.793 2.944 1.090 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.472 4.639 1.529 1.00 0.54 H new ATOM 1373 N GLY A 91 15.987 3.117 4.587 1.00 0.42 N ATOM 1374 CA GLY A 91 15.334 3.313 5.868 1.00 0.46 C ATOM 1375 C GLY A 91 13.996 2.614 5.955 1.00 0.43 C ATOM 1376 O GLY A 91 13.865 1.459 5.554 1.00 0.62 O ATOM 0 H GLY A 91 15.357 3.074 3.786 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.984 2.945 6.662 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.193 4.380 6.040 1.00 0.46 H new ATOM 1380 N VAL A 92 12.999 3.307 6.477 1.00 0.40 N ATOM 1381 CA VAL A 92 11.671 2.738 6.623 1.00 0.38 C ATOM 1382 C VAL A 92 10.636 3.619 5.934 1.00 0.36 C ATOM 1383 O VAL A 92 10.576 4.828 6.155 1.00 0.55 O ATOM 1384 CB VAL A 92 11.295 2.522 8.112 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.358 3.827 8.897 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.916 1.891 8.231 1.00 1.23 C ATOM 0 H VAL A 92 13.085 4.268 6.808 1.00 0.40 H new ATOM 0 HA VAL A 92 11.679 1.759 6.143 1.00 0.38 H new ATOM 0 HB VAL A 92 12.027 1.839 8.543 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.089 3.640 9.936 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.369 4.231 8.851 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.661 4.545 8.465 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.671 1.748 9.283 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.175 2.546 7.772 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.912 0.927 7.723 1.00 1.23 H new ATOM 1396 N THR A 93 9.833 3.005 5.089 1.00 0.28 N ATOM 1397 CA THR A 93 8.847 3.713 4.310 1.00 0.28 C ATOM 1398 C THR A 93 7.480 3.075 4.539 1.00 0.27 C ATOM 1399 O THR A 93 7.393 1.991 5.109 1.00 0.41 O ATOM 1400 CB THR A 93 9.219 3.659 2.817 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.639 3.797 2.663 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.530 4.768 2.048 1.00 0.59 C ATOM 0 H THR A 93 9.849 1.998 4.925 1.00 0.28 H new ATOM 0 HA THR A 93 8.815 4.758 4.619 1.00 0.28 H new ATOM 0 HB THR A 93 8.892 2.697 2.422 1.00 0.35 H new ATOM 0 HG1 THR A 93 10.870 3.760 1.711 1.00 0.63 H new ATOM 0 HG21 THR A 93 8.809 4.709 0.996 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.450 4.660 2.144 1.00 0.59 H new ATOM 0 HG23 THR A 93 8.835 5.734 2.450 1.00 0.59 H new ATOM 1410 N VAL A 94 6.414 3.737 4.131 1.00 0.25 N ATOM 1411 CA VAL A 94 5.081 3.194 4.325 1.00 0.25 C ATOM 1412 C VAL A 94 4.395 2.973 2.985 1.00 0.24 C ATOM 1413 O VAL A 94 4.517 3.793 2.073 1.00 0.28 O ATOM 1414 CB VAL A 94 4.211 4.128 5.196 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.871 3.483 5.520 1.00 0.36 C ATOM 1416 CG2 VAL A 94 4.944 4.515 6.471 1.00 0.32 C ATOM 0 H VAL A 94 6.443 4.645 3.667 1.00 0.25 H new ATOM 0 HA VAL A 94 5.191 2.240 4.841 1.00 0.25 H new ATOM 0 HB VAL A 94 4.018 5.036 4.624 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.279 4.162 6.134 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.336 3.271 4.594 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.037 2.553 6.064 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.313 5.173 7.068 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.177 3.617 7.044 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.869 5.033 6.216 1.00 0.32 H new ATOM 1426 N VAL A 95 3.694 1.860 2.860 1.00 0.22 N ATOM 1427 CA VAL A 95 2.879 1.607 1.693 1.00 0.22 C ATOM 1428 C VAL A 95 1.433 1.460 2.142 1.00 0.24 C ATOM 1429 O VAL A 95 1.062 0.482 2.798 1.00 0.34 O ATOM 1430 CB VAL A 95 3.360 0.366 0.899 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.483 -0.864 1.787 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.435 0.087 -0.275 1.00 0.60 C ATOM 0 H VAL A 95 3.675 1.116 3.558 1.00 0.22 H new ATOM 0 HA VAL A 95 2.968 2.448 1.006 1.00 0.22 H new ATOM 0 HB VAL A 95 4.355 0.593 0.515 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.823 -1.711 1.191 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.202 -0.668 2.582 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.512 -1.095 2.225 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.791 -0.788 -0.819 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.426 -0.100 0.093 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.424 0.949 -0.942 1.00 0.60 H new ATOM 1442 N LEU A 96 0.624 2.453 1.829 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.711 2.517 2.380 1.00 0.26 C ATOM 1444 C LEU A 96 -1.776 2.411 1.301 1.00 0.24 C ATOM 1445 O LEU A 96 -1.748 3.115 0.293 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.881 3.785 3.232 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.535 5.108 2.548 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.781 5.761 1.978 1.00 1.13 C ATOM 1449 CD2 LEU A 96 0.165 6.043 3.522 1.00 1.21 C ATOM 0 H LEU A 96 0.867 3.219 1.201 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.847 1.654 3.032 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.916 3.834 3.570 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.259 3.686 4.122 1.00 0.44 H new ATOM 0 HG LEU A 96 0.145 4.900 1.722 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.511 6.701 1.496 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.238 5.096 1.245 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -2.490 5.956 2.783 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.404 6.980 3.019 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -0.491 6.243 4.369 1.00 1.21 H new ATOM 0 HD23 LEU A 96 1.084 5.577 3.877 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.697 1.491 1.521 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.822 1.296 0.630 1.00 0.24 C ATOM 1463 C ILE A 97 -5.032 2.052 1.155 1.00 0.26 C ATOM 1464 O ILE A 97 -5.569 1.724 2.217 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.177 -0.200 0.492 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.943 -0.998 0.071 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.304 -0.390 -0.516 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.161 -2.496 0.059 1.00 0.30 C ATOM 0 H ILE A 97 -2.685 0.859 2.322 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.541 1.676 -0.352 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.517 -0.568 1.460 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.636 -0.677 -0.924 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.122 -0.765 0.749 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.541 -1.450 -0.601 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.187 0.154 -0.181 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.991 -0.010 -1.488 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.242 -2.995 -0.249 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.438 -2.831 1.058 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.960 -2.742 -0.641 1.00 0.30 H new ATOM 1480 N THR A 98 -5.434 3.078 0.430 1.00 0.29 N ATOM 1481 CA THR A 98 -6.600 3.855 0.788 1.00 0.33 C ATOM 1482 C THR A 98 -7.786 3.448 -0.078 1.00 0.28 C ATOM 1483 O THR A 98 -7.655 3.285 -1.293 1.00 0.37 O ATOM 1484 CB THR A 98 -6.337 5.366 0.632 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.812 5.649 -0.670 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.363 5.863 1.688 1.00 1.07 C ATOM 0 H THR A 98 -4.963 3.393 -0.418 1.00 0.29 H new ATOM 0 HA THR A 98 -6.827 3.654 1.835 1.00 0.33 H new ATOM 0 HB THR A 98 -7.288 5.884 0.761 1.00 0.43 H new ATOM 0 HG1 THR A 98 -5.651 6.612 -0.756 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.196 6.932 1.554 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.778 5.682 2.680 1.00 1.07 H new ATOM 0 HG23 THR A 98 -4.416 5.332 1.588 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.929 3.249 0.550 1.00 0.28 N ATOM 1495 CA CYS A 99 -10.134 2.910 -0.180 1.00 0.29 C ATOM 1496 C CYS A 99 -11.096 4.085 -0.151 1.00 0.31 C ATOM 1497 O CYS A 99 -11.573 4.489 0.913 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.783 1.667 0.412 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.631 0.303 0.680 1.00 1.32 S ATOM 0 H CYS A 99 -9.048 3.316 1.561 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.875 2.693 -1.216 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.249 1.929 1.362 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.580 1.333 -0.253 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.714 -0.536 -0.310 1.00 1.32 H new ATOM 1505 N THR A 100 -11.365 4.633 -1.321 1.00 0.34 N ATOM 1506 CA THR A 100 -12.143 5.852 -1.438 1.00 0.38 C ATOM 1507 C THR A 100 -13.560 5.570 -1.935 1.00 0.37 C ATOM 1508 O THR A 100 -13.759 4.761 -2.847 1.00 0.41 O ATOM 1509 CB THR A 100 -11.449 6.824 -2.410 1.00 0.43 C ATOM 1510 OG1 THR A 100 -10.030 6.783 -2.208 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.940 8.247 -2.208 1.00 0.50 C ATOM 0 H THR A 100 -11.052 4.248 -2.213 1.00 0.34 H new ATOM 0 HA THR A 100 -12.210 6.298 -0.446 1.00 0.38 H new ATOM 0 HB THR A 100 -11.691 6.513 -3.426 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.580 6.677 -3.072 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.432 8.910 -2.908 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.015 8.289 -2.383 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.726 8.564 -1.187 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.538 6.223 -1.313 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.921 6.173 -1.764 1.00 0.40 C ATOM 1521 C TYR A 101 -16.545 7.555 -1.591 1.00 0.44 C ATOM 1522 O TYR A 101 -16.413 8.166 -0.529 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.718 5.122 -0.978 1.00 0.41 C ATOM 1524 CG TYR A 101 -18.074 4.812 -1.578 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -18.197 3.908 -2.624 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -19.228 5.419 -1.101 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.428 3.619 -3.179 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.464 5.136 -1.651 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.560 4.235 -2.690 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.793 3.946 -3.239 1.00 0.65 O ATOM 0 H TYR A 101 -14.392 6.800 -0.484 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.946 5.886 -2.815 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -16.135 4.202 -0.924 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.855 5.473 0.045 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -17.314 3.422 -3.011 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -19.159 6.124 -0.286 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -19.504 2.913 -3.993 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -21.351 5.619 -1.268 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.486 4.464 -2.779 1.00 0.65 H new ATOM 1540 N ARG A 102 -17.188 8.056 -2.645 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.782 9.400 -2.645 1.00 0.59 C ATOM 1542 C ARG A 102 -16.707 10.478 -2.534 1.00 0.57 C ATOM 1543 O ARG A 102 -17.000 11.625 -2.199 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.802 9.569 -1.506 1.00 0.65 C ATOM 1545 CG ARG A 102 -20.045 8.705 -1.645 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.759 8.967 -2.959 1.00 0.86 C ATOM 1547 NE ARG A 102 -22.084 8.350 -2.998 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.635 7.840 -4.098 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -21.940 7.769 -5.230 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -23.877 7.375 -4.061 1.00 2.45 N ATOM 0 H ARG A 102 -17.314 7.548 -3.520 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.303 9.515 -3.596 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.315 9.334 -0.560 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.105 10.615 -1.457 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.767 7.653 -1.584 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.723 8.904 -0.815 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -20.856 10.042 -3.110 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -20.156 8.582 -3.782 1.00 0.86 H new ATOM 0 HE ARG A 102 -22.619 8.308 -2.130 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -20.978 8.107 -5.260 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -22.369 7.377 -6.068 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -24.408 7.408 -3.191 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -24.300 6.984 -4.903 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.461 10.110 -2.816 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.371 11.056 -2.714 1.00 0.53 C ATOM 1566 C GLY A 103 -13.817 11.103 -1.313 1.00 0.49 C ATOM 1567 O GLY A 103 -12.937 11.906 -1.002 1.00 0.57 O ATOM 0 H GLY A 103 -15.189 9.173 -3.113 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.580 10.780 -3.411 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.719 12.048 -3.003 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.342 10.231 -0.468 1.00 0.45 N ATOM 1572 CA GLN A 104 -13.947 10.163 0.923 1.00 0.44 C ATOM 1573 C GLN A 104 -13.415 8.773 1.247 1.00 0.37 C ATOM 1574 O GLN A 104 -14.060 7.766 0.958 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.143 10.497 1.813 1.00 0.51 C ATOM 1576 CG GLN A 104 -15.716 11.883 1.560 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.090 12.076 2.173 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -17.357 11.384 3.269 1.00 1.31 O flip ATOM 1579 NE2 GLN A 104 -17.906 12.841 1.667 1.00 0.98 N flip ATOM 0 H GLN A 104 -15.055 9.551 -0.731 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.155 10.888 1.109 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -15.924 9.754 1.653 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -14.841 10.422 2.858 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.035 12.631 1.965 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -15.776 12.055 0.485 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.664 13.358 0.822 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.826 12.960 2.092 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.236 8.719 1.827 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.606 7.453 2.165 1.00 0.32 C ATOM 1590 C GLU A 105 -12.130 6.955 3.500 1.00 0.32 C ATOM 1591 O GLU A 105 -12.197 7.714 4.465 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.096 7.635 2.204 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.541 8.139 0.884 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.271 8.937 1.052 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -8.349 10.091 1.532 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.192 8.429 0.692 1.00 1.59 O ATOM 0 H GLU A 105 -11.688 9.542 2.078 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.847 6.707 1.408 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.838 8.338 2.996 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.624 6.685 2.455 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.348 7.290 0.228 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.291 8.758 0.392 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.516 5.687 3.548 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.121 5.118 4.750 1.00 0.27 C ATOM 1605 C PHE A 106 -12.162 4.189 5.482 1.00 0.26 C ATOM 1606 O PHE A 106 -12.442 3.748 6.593 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.414 4.371 4.404 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.288 3.430 3.236 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.886 2.120 3.433 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.565 3.855 1.945 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.762 1.251 2.369 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.443 2.989 0.876 1.00 0.29 C ATOM 1613 CZ PHE A 106 -14.072 1.702 1.072 1.00 0.31 C ATOM 0 H PHE A 106 -12.422 5.032 2.772 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.356 5.948 5.416 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.739 3.806 5.278 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.195 5.100 4.187 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.667 1.774 4.432 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.879 4.874 1.774 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -13.431 0.236 2.529 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.645 3.342 -0.125 1.00 0.29 H new ATOM 0 HZ PHE A 106 -14.014 1.022 0.235 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.055 3.859 4.847 1.00 0.24 N ATOM 1624 CA ILE A 107 -10.040 3.031 5.476 1.00 0.24 C ATOM 1625 C ILE A 107 -8.685 3.290 4.835 1.00 0.22 C ATOM 1626 O ILE A 107 -8.606 3.688 3.669 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.381 1.522 5.410 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.466 0.732 6.357 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.270 0.996 3.985 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.657 -0.772 6.286 1.00 0.37 C ATOM 0 H ILE A 107 -10.833 4.151 3.895 1.00 0.24 H new ATOM 0 HA ILE A 107 -10.007 3.307 6.530 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.414 1.389 5.731 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.428 0.968 6.123 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.646 1.063 7.380 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.515 -0.066 3.969 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.963 1.538 3.342 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.252 1.139 3.623 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.975 -1.259 6.984 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.685 -1.021 6.550 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.448 -1.118 5.274 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.633 3.083 5.601 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.287 3.230 5.111 1.00 0.24 C ATOM 1644 C ARG A 108 -5.386 2.173 5.736 1.00 0.24 C ATOM 1645 O ARG A 108 -5.204 2.147 6.954 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.785 4.619 5.461 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.345 4.862 5.082 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.855 6.144 5.708 1.00 0.58 C ATOM 1649 NE ARG A 108 -3.999 6.130 7.162 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.631 7.147 7.939 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.262 8.294 7.388 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.675 7.041 9.258 1.00 0.95 N ATOM 0 H ARG A 108 -7.693 2.808 6.581 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.273 3.099 4.029 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.412 5.358 4.961 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.900 4.777 6.533 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.728 4.027 5.413 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.250 4.918 3.998 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.808 6.298 5.448 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.412 6.985 5.296 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.400 5.302 7.603 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.261 8.395 6.373 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -2.979 9.076 7.979 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -3.993 6.173 9.690 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -3.391 7.827 9.843 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.842 1.300 4.904 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.946 0.250 5.370 1.00 0.22 C ATOM 1668 C VAL A 109 -2.491 0.645 5.148 1.00 0.24 C ATOM 1669 O VAL A 109 -1.991 0.576 4.032 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.225 -1.082 4.643 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.159 -2.116 4.975 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.611 -1.602 4.997 1.00 0.27 C ATOM 0 H VAL A 109 -5.005 1.297 3.897 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.127 0.117 6.437 1.00 0.22 H new ATOM 0 HB VAL A 109 -4.191 -0.898 3.569 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.378 -3.046 4.450 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.183 -1.745 4.663 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.152 -2.299 6.050 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.791 -2.542 4.475 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.674 -1.766 6.073 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.362 -0.871 4.697 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.821 1.066 6.208 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.439 1.490 6.089 1.00 0.25 C ATOM 1684 C GLY A 110 0.542 0.419 6.520 1.00 0.21 C ATOM 1685 O GLY A 110 0.761 0.211 7.710 1.00 0.27 O ATOM 0 H GLY A 110 -2.208 1.123 7.150 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.236 1.767 5.054 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.284 2.383 6.694 1.00 0.25 H new ATOM 1689 N TYR A 111 1.128 -0.268 5.559 1.00 0.23 N ATOM 1690 CA TYR A 111 2.138 -1.273 5.855 1.00 0.24 C ATOM 1691 C TYR A 111 3.523 -0.653 5.836 1.00 0.23 C ATOM 1692 O TYR A 111 3.935 -0.060 4.841 1.00 0.27 O ATOM 1693 CB TYR A 111 2.054 -2.440 4.870 1.00 0.32 C ATOM 1694 CG TYR A 111 1.015 -3.460 5.263 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.100 -4.115 6.485 1.00 0.29 C ATOM 1696 CD2 TYR A 111 -0.060 -3.753 4.434 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.150 -5.038 6.867 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -1.019 -4.675 4.813 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.909 -5.313 6.032 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.863 -6.224 6.424 1.00 0.40 O ATOM 0 H TYR A 111 0.924 -0.151 4.566 1.00 0.23 H new ATOM 0 HA TYR A 111 1.948 -1.664 6.855 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.822 -2.056 3.877 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.028 -2.926 4.805 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.925 -3.897 7.147 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.148 -3.254 3.480 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.236 -5.543 7.818 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.850 -4.895 4.158 1.00 0.32 H new ATOM 0 HH TYR A 111 -2.171 -6.732 5.644 1.00 0.40 H new ATOM 1710 N TYR A 112 4.230 -0.766 6.945 1.00 0.25 N ATOM 1711 CA TYR A 112 5.565 -0.209 7.040 1.00 0.25 C ATOM 1712 C TYR A 112 6.584 -1.153 6.429 1.00 0.27 C ATOM 1713 O TYR A 112 6.857 -2.224 6.963 1.00 0.33 O ATOM 1714 CB TYR A 112 5.932 0.083 8.496 1.00 0.29 C ATOM 1715 CG TYR A 112 5.265 1.316 9.065 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.884 1.395 9.194 1.00 0.50 C ATOM 1717 CD2 TYR A 112 6.025 2.404 9.473 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.282 2.525 9.711 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.429 3.537 9.991 1.00 0.60 C ATOM 1720 CZ TYR A 112 4.057 3.593 10.107 1.00 0.64 C ATOM 1721 OH TYR A 112 3.458 4.717 10.623 1.00 0.78 O ATOM 0 H TYR A 112 3.903 -1.237 7.789 1.00 0.25 H new ATOM 0 HA TYR A 112 5.576 0.728 6.484 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.662 -0.778 9.107 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.013 0.200 8.571 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.272 0.560 8.885 1.00 0.50 H new ATOM 0 HD2 TYR A 112 7.101 2.364 9.384 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.207 2.571 9.805 1.00 0.62 H new ATOM 0 HE2 TYR A 112 6.035 4.375 10.303 1.00 0.60 H new ATOM 0 HH TYR A 112 4.145 5.377 10.854 1.00 0.78 H new ATOM 1731 N VAL A 113 7.137 -0.753 5.306 1.00 0.27 N ATOM 1732 CA VAL A 113 8.178 -1.522 4.662 1.00 0.31 C ATOM 1733 C VAL A 113 9.544 -1.010 5.093 1.00 0.28 C ATOM 1734 O VAL A 113 9.820 0.189 5.031 1.00 0.31 O ATOM 1735 CB VAL A 113 8.059 -1.485 3.120 1.00 0.42 C ATOM 1736 CG1 VAL A 113 7.949 -0.057 2.604 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.246 -2.185 2.484 1.00 1.19 C ATOM 0 H VAL A 113 6.881 0.105 4.818 1.00 0.27 H new ATOM 0 HA VAL A 113 8.061 -2.560 4.974 1.00 0.31 H new ATOM 0 HB VAL A 113 7.145 -2.011 2.843 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.867 -0.068 1.517 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.064 0.417 3.030 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.837 0.504 2.895 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.149 -2.152 1.399 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.167 -1.683 2.782 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.276 -3.223 2.814 1.00 1.19 H new ATOM 1747 N ASN A 114 10.384 -1.913 5.557 1.00 0.29 N ATOM 1748 CA ASN A 114 11.718 -1.541 5.980 1.00 0.32 C ATOM 1749 C ASN A 114 12.711 -1.900 4.890 1.00 0.32 C ATOM 1750 O ASN A 114 12.774 -3.048 4.451 1.00 0.35 O ATOM 1751 CB ASN A 114 12.087 -2.235 7.291 1.00 0.42 C ATOM 1752 CG ASN A 114 13.179 -1.499 8.039 1.00 0.84 C ATOM 1753 OD1 ASN A 114 14.367 -1.712 7.804 1.00 1.63 O ATOM 1754 ND2 ASN A 114 12.779 -0.631 8.957 1.00 1.28 N ATOM 0 H ASN A 114 10.168 -2.905 5.650 1.00 0.29 H new ATOM 0 HA ASN A 114 11.747 -0.465 6.153 1.00 0.32 H new ATOM 0 HB2 ASN A 114 11.202 -2.309 7.923 1.00 0.42 H new ATOM 0 HB3 ASN A 114 12.415 -3.253 7.082 1.00 0.42 H new ATOM 0 HD21 ASN A 114 13.467 -0.110 9.500 1.00 1.28 H new ATOM 0 HD22 ASN A 114 11.783 -0.484 9.120 1.00 1.28 H new ATOM 1761 N ASN A 115 13.470 -0.918 4.444 1.00 0.34 N ATOM 1762 CA ASN A 115 14.353 -1.102 3.308 1.00 0.39 C ATOM 1763 C ASN A 115 15.805 -1.240 3.741 1.00 0.43 C ATOM 1764 O ASN A 115 16.390 -0.337 4.343 1.00 0.50 O ATOM 1765 CB ASN A 115 14.202 0.053 2.321 1.00 0.48 C ATOM 1766 CG ASN A 115 12.845 0.071 1.638 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.239 -0.974 1.398 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.354 1.260 1.326 1.00 0.60 N ATOM 0 H ASN A 115 13.493 0.017 4.851 1.00 0.34 H new ATOM 0 HA ASN A 115 14.064 -2.030 2.815 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.351 0.996 2.847 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.983 -0.017 1.564 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.444 1.333 0.871 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.886 2.104 1.541 1.00 0.60 H new ATOM 1775 N GLU A 116 16.362 -2.392 3.421 1.00 0.42 N ATOM 1776 CA GLU A 116 17.765 -2.702 3.648 1.00 0.50 C ATOM 1777 C GLU A 116 18.237 -3.609 2.531 1.00 0.45 C ATOM 1778 O GLU A 116 17.473 -4.434 2.048 1.00 0.54 O ATOM 1779 CB GLU A 116 17.998 -3.403 4.992 1.00 0.69 C ATOM 1780 CG GLU A 116 17.950 -2.490 6.207 1.00 1.26 C ATOM 1781 CD GLU A 116 18.548 -3.146 7.434 1.00 1.58 C ATOM 1782 OE1 GLU A 116 17.834 -3.908 8.120 1.00 1.87 O ATOM 1783 OE2 GLU A 116 19.742 -2.917 7.710 1.00 1.97 O ATOM 0 H GLU A 116 15.843 -3.156 2.987 1.00 0.42 H new ATOM 0 HA GLU A 116 18.322 -1.765 3.667 1.00 0.50 H new ATOM 0 HB2 GLU A 116 17.247 -4.184 5.113 1.00 0.69 H new ATOM 0 HB3 GLU A 116 18.970 -3.896 4.964 1.00 0.69 H new ATOM 0 HG2 GLU A 116 18.490 -1.568 5.989 1.00 1.26 H new ATOM 0 HG3 GLU A 116 16.916 -2.213 6.412 1.00 1.26 H new ATOM 1790 N TYR A 117 19.480 -3.457 2.114 1.00 0.46 N ATOM 1791 CA TYR A 117 20.014 -4.243 1.017 1.00 0.46 C ATOM 1792 C TYR A 117 20.046 -5.728 1.358 1.00 0.52 C ATOM 1793 O TYR A 117 19.941 -6.113 2.521 1.00 0.60 O ATOM 1794 CB TYR A 117 21.419 -3.767 0.674 1.00 0.48 C ATOM 1795 CG TYR A 117 21.495 -2.292 0.368 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.311 -1.822 -0.927 1.00 0.55 C ATOM 1797 CD2 TYR A 117 21.743 -1.368 1.371 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.374 -0.475 -1.210 1.00 0.61 C ATOM 1799 CE2 TYR A 117 21.804 -0.021 1.094 1.00 0.59 C ATOM 1800 CZ TYR A 117 21.647 0.419 -0.194 1.00 0.60 C ATOM 1801 OH TYR A 117 21.681 1.761 -0.473 1.00 0.69 O ATOM 0 H TYR A 117 20.141 -2.794 2.520 1.00 0.46 H new ATOM 0 HA TYR A 117 19.358 -4.106 0.157 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.084 -3.992 1.508 1.00 0.48 H new ATOM 0 HB3 TYR A 117 21.785 -4.328 -0.186 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.116 -2.524 -1.724 1.00 0.55 H new ATOM 0 HD2 TYR A 117 21.891 -1.710 2.385 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.211 -0.122 -2.218 1.00 0.61 H new ATOM 0 HE2 TYR A 117 21.975 0.688 1.891 1.00 0.59 H new ATOM 0 HH TYR A 117 21.885 2.260 0.345 1.00 0.69 H new ATOM 1811 N THR A 118 20.210 -6.548 0.337 1.00 0.54 N ATOM 1812 CA THR A 118 20.273 -7.986 0.510 1.00 0.65 C ATOM 1813 C THR A 118 21.689 -8.385 0.870 1.00 0.74 C ATOM 1814 O THR A 118 21.924 -9.365 1.578 1.00 0.84 O ATOM 1815 CB THR A 118 19.854 -8.721 -0.780 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.630 -8.242 -1.890 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.375 -8.522 -1.069 1.00 0.77 C ATOM 0 H THR A 118 20.303 -6.238 -0.630 1.00 0.54 H new ATOM 0 HA THR A 118 19.584 -8.266 1.307 1.00 0.65 H new ATOM 0 HB THR A 118 20.036 -9.786 -0.637 1.00 0.67 H new ATOM 0 HG1 THR A 118 21.463 -8.754 -1.952 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.109 -9.051 -1.984 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.786 -8.913 -0.239 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.168 -7.459 -1.192 1.00 0.77 H new ATOM 1825 N GLU A 119 22.628 -7.582 0.393 1.00 0.78 N ATOM 1826 CA GLU A 119 24.036 -7.870 0.557 1.00 0.92 C ATOM 1827 C GLU A 119 24.512 -7.418 1.923 1.00 0.95 C ATOM 1828 O GLU A 119 24.227 -6.291 2.342 1.00 0.90 O ATOM 1829 CB GLU A 119 24.844 -7.179 -0.533 1.00 1.00 C ATOM 1830 CG GLU A 119 24.311 -7.472 -1.919 1.00 1.29 C ATOM 1831 CD GLU A 119 24.246 -8.952 -2.222 1.00 1.50 C ATOM 1832 OE1 GLU A 119 25.307 -9.599 -2.279 1.00 1.67 O ATOM 1833 OE2 GLU A 119 23.124 -9.470 -2.419 1.00 2.24 O ATOM 0 H GLU A 119 22.433 -6.719 -0.115 1.00 0.78 H new ATOM 0 HA GLU A 119 24.182 -8.947 0.475 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.833 -6.102 -0.362 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.883 -7.501 -0.471 1.00 1.00 H new ATOM 0 HG2 GLU A 119 23.315 -7.042 -2.018 1.00 1.29 H new ATOM 0 HG3 GLU A 119 24.945 -6.982 -2.658 1.00 1.29 H new ATOM 1840 N THR A 120 25.231 -8.291 2.612 1.00 1.07 N ATOM 1841 CA THR A 120 25.764 -7.977 3.926 1.00 1.14 C ATOM 1842 C THR A 120 26.586 -6.695 3.872 1.00 1.12 C ATOM 1843 O THR A 120 26.382 -5.790 4.678 1.00 1.13 O ATOM 1844 CB THR A 120 26.635 -9.130 4.458 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.888 -10.356 4.429 1.00 1.36 O ATOM 1846 CG2 THR A 120 27.101 -8.855 5.881 1.00 1.41 C ATOM 0 H THR A 120 25.459 -9.228 2.279 1.00 1.07 H new ATOM 0 HA THR A 120 24.922 -7.836 4.604 1.00 1.14 H new ATOM 0 HB THR A 120 27.513 -9.215 3.817 1.00 1.31 H new ATOM 0 HG1 THR A 120 26.446 -11.087 4.767 1.00 1.36 H new ATOM 0 HG21 THR A 120 27.714 -9.686 6.230 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.689 -7.937 5.900 1.00 1.41 H new ATOM 0 HG23 THR A 120 26.234 -8.744 6.533 1.00 1.41 H new ATOM 1854 N GLU A 121 27.467 -6.608 2.877 1.00 1.13 N ATOM 1855 CA GLU A 121 28.345 -5.452 2.713 1.00 1.14 C ATOM 1856 C GLU A 121 27.542 -4.153 2.619 1.00 1.03 C ATOM 1857 O GLU A 121 27.917 -3.141 3.212 1.00 1.09 O ATOM 1858 CB GLU A 121 29.206 -5.627 1.458 1.00 1.18 C ATOM 1859 CG GLU A 121 30.187 -4.488 1.195 1.00 1.27 C ATOM 1860 CD GLU A 121 31.303 -4.411 2.220 1.00 1.56 C ATOM 1861 OE1 GLU A 121 32.175 -5.303 2.227 1.00 2.05 O ATOM 1862 OE2 GLU A 121 31.342 -3.438 2.997 1.00 2.21 O ATOM 0 H GLU A 121 27.592 -7.330 2.168 1.00 1.13 H new ATOM 0 HA GLU A 121 28.989 -5.387 3.590 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.766 -6.558 1.545 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.549 -5.729 0.594 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.622 -4.613 0.203 1.00 1.27 H new ATOM 0 HG3 GLU A 121 29.643 -3.543 1.188 1.00 1.27 H new ATOM 1869 N LEU A 122 26.418 -4.184 1.903 1.00 0.90 N ATOM 1870 CA LEU A 122 25.657 -2.970 1.662 1.00 0.82 C ATOM 1871 C LEU A 122 24.830 -2.586 2.887 1.00 0.82 C ATOM 1872 O LEU A 122 24.397 -1.443 3.017 1.00 0.83 O ATOM 1873 CB LEU A 122 24.763 -3.142 0.435 1.00 0.75 C ATOM 1874 CG LEU A 122 25.507 -3.369 -0.884 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.524 -3.557 -2.029 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.446 -2.207 -1.178 1.00 0.87 C ATOM 0 H LEU A 122 26.023 -5.027 1.487 1.00 0.90 H new ATOM 0 HA LEU A 122 26.359 -2.159 1.470 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.095 -3.986 0.607 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.137 -2.255 0.333 1.00 0.75 H new ATOM 0 HG LEU A 122 26.101 -4.277 -0.786 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.073 -3.717 -2.957 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.892 -4.422 -1.828 1.00 0.88 H new ATOM 0 HD13 LEU A 122 23.902 -2.667 -2.124 1.00 0.88 H new ATOM 0 HD21 LEU A 122 26.965 -2.388 -2.119 1.00 0.87 H new ATOM 0 HD22 LEU A 122 25.871 -1.284 -1.252 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.175 -2.116 -0.373 1.00 0.87 H new ATOM 1888 N ARG A 123 24.604 -3.545 3.774 1.00 0.86 N ATOM 1889 CA ARG A 123 23.910 -3.271 5.027 1.00 0.94 C ATOM 1890 C ARG A 123 24.890 -2.740 6.060 1.00 1.11 C ATOM 1891 O ARG A 123 24.549 -1.875 6.870 1.00 1.19 O ATOM 1892 CB ARG A 123 23.230 -4.528 5.564 1.00 0.98 C ATOM 1893 CG ARG A 123 22.269 -5.158 4.581 1.00 0.89 C ATOM 1894 CD ARG A 123 21.586 -6.377 5.174 1.00 1.00 C ATOM 1895 NE ARG A 123 20.610 -6.024 6.208 1.00 1.20 N ATOM 1896 CZ ARG A 123 19.799 -6.904 6.806 1.00 1.56 C ATOM 1897 NH1 ARG A 123 19.856 -8.194 6.487 1.00 1.82 N ATOM 1898 NH2 ARG A 123 18.928 -6.492 7.720 1.00 2.03 N ATOM 0 H ARG A 123 24.889 -4.517 3.651 1.00 0.86 H new ATOM 0 HA ARG A 123 23.144 -2.520 4.832 1.00 0.94 H new ATOM 0 HB2 ARG A 123 23.993 -5.258 5.833 1.00 0.98 H new ATOM 0 HB3 ARG A 123 22.691 -4.278 6.478 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.517 -4.426 4.286 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.807 -5.445 3.677 1.00 0.89 H new ATOM 0 HD2 ARG A 123 21.085 -6.931 4.380 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.339 -7.040 5.600 1.00 1.00 H new ATOM 0 HE ARG A 123 20.545 -5.046 6.490 1.00 1.20 H new ATOM 0 HH11 ARG A 123 20.520 -8.516 5.783 1.00 1.82 H new ATOM 0 HH12 ARG A 123 19.235 -8.861 6.946 1.00 1.82 H new ATOM 0 HH21 ARG A 123 18.877 -5.504 7.967 1.00 2.03 H new ATOM 0 HH22 ARG A 123 18.310 -7.164 8.175 1.00 2.03 H new ATOM 1912 N GLU A 124 26.109 -3.274 6.024 1.00 1.20 N ATOM 1913 CA GLU A 124 27.174 -2.842 6.924 1.00 1.39 C ATOM 1914 C GLU A 124 27.445 -1.357 6.743 1.00 1.37 C ATOM 1915 O GLU A 124 27.592 -0.612 7.714 1.00 1.49 O ATOM 1916 CB GLU A 124 28.461 -3.624 6.659 1.00 1.53 C ATOM 1917 CG GLU A 124 28.317 -5.126 6.819 1.00 1.66 C ATOM 1918 CD GLU A 124 29.614 -5.866 6.572 1.00 2.03 C ATOM 1919 OE1 GLU A 124 30.390 -6.063 7.527 1.00 2.06 O ATOM 1920 OE2 GLU A 124 29.866 -6.255 5.412 1.00 2.84 O ATOM 0 H GLU A 124 26.384 -4.012 5.376 1.00 1.20 H new ATOM 0 HA GLU A 124 26.847 -3.033 7.946 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.803 -3.408 5.647 1.00 1.53 H new ATOM 0 HB3 GLU A 124 29.236 -3.269 7.339 1.00 1.53 H new ATOM 0 HG2 GLU A 124 27.963 -5.348 7.826 1.00 1.66 H new ATOM 0 HG3 GLU A 124 27.558 -5.490 6.127 1.00 1.66 H new ATOM 1927 N ASN A 125 27.503 -0.934 5.490 1.00 1.27 N ATOM 1928 CA ASN A 125 27.762 0.455 5.163 1.00 1.30 C ATOM 1929 C ASN A 125 26.905 0.887 3.983 1.00 1.14 C ATOM 1930 O ASN A 125 27.266 0.685 2.824 1.00 1.10 O ATOM 1931 CB ASN A 125 29.257 0.678 4.878 1.00 1.45 C ATOM 1932 CG ASN A 125 29.835 -0.333 3.902 1.00 1.58 C ATOM 1933 OD1 ASN A 125 29.906 -0.091 2.698 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.266 -1.471 4.425 1.00 1.62 N ATOM 0 H ASN A 125 27.373 -1.539 4.679 1.00 1.27 H new ATOM 0 HA ASN A 125 27.494 1.072 6.021 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.399 1.682 4.478 1.00 1.45 H new ATOM 0 HB3 ASN A 125 29.811 0.627 5.815 1.00 1.45 H new ATOM 0 HD21 ASN A 125 30.675 -2.186 3.824 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.189 -1.632 5.429 1.00 1.62 H new ATOM 1941 N PRO A 126 25.720 1.442 4.267 1.00 1.13 N ATOM 1942 CA PRO A 126 24.838 1.962 3.230 1.00 1.06 C ATOM 1943 C PRO A 126 25.501 3.100 2.471 1.00 1.09 C ATOM 1944 O PRO A 126 25.823 4.140 3.050 1.00 1.19 O ATOM 1945 CB PRO A 126 23.608 2.460 3.996 1.00 1.15 C ATOM 1946 CG PRO A 126 24.067 2.624 5.405 1.00 1.23 C ATOM 1947 CD PRO A 126 25.148 1.599 5.612 1.00 1.24 C ATOM 0 HA PRO A 126 24.587 1.209 2.482 1.00 1.06 H new ATOM 0 HB2 PRO A 126 23.245 3.403 3.588 1.00 1.15 H new ATOM 0 HB3 PRO A 126 22.787 1.746 3.930 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.447 3.631 5.577 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.245 2.470 6.104 1.00 1.23 H new ATOM 0 HD2 PRO A 126 25.894 1.939 6.330 1.00 1.24 H new ATOM 0 HD3 PRO A 126 24.746 0.660 5.991 1.00 1.24 H new ATOM 1955 N PRO A 127 25.739 2.897 1.169 1.00 1.05 N ATOM 1956 CA PRO A 127 26.426 3.877 0.325 1.00 1.13 C ATOM 1957 C PRO A 127 25.727 5.228 0.327 1.00 1.19 C ATOM 1958 O PRO A 127 24.519 5.309 0.566 1.00 1.14 O ATOM 1959 CB PRO A 127 26.389 3.235 -1.067 1.00 1.11 C ATOM 1960 CG PRO A 127 26.236 1.777 -0.797 1.00 1.01 C ATOM 1961 CD PRO A 127 25.363 1.690 0.417 1.00 0.97 C ATOM 0 HA PRO A 127 27.436 4.089 0.675 1.00 1.13 H new ATOM 0 HB2 PRO A 127 25.559 3.619 -1.660 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.302 3.442 -1.625 1.00 1.11 H new ATOM 0 HG2 PRO A 127 25.782 1.265 -1.646 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.203 1.306 -0.621 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.305 1.688 0.156 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.552 0.781 0.988 1.00 0.97 H new ATOM 1969 N VAL A 128 26.501 6.280 0.065 1.00 1.34 N ATOM 1970 CA VAL A 128 26.001 7.654 0.093 1.00 1.44 C ATOM 1971 C VAL A 128 24.720 7.800 -0.731 1.00 1.22 C ATOM 1972 O VAL A 128 23.815 8.547 -0.360 1.00 1.28 O ATOM 1973 CB VAL A 128 27.080 8.650 -0.405 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.501 8.340 -1.833 1.00 1.92 C ATOM 1975 CG2 VAL A 128 26.593 10.086 -0.288 1.00 2.16 C ATOM 0 H VAL A 128 27.490 6.205 -0.172 1.00 1.34 H new ATOM 0 HA VAL A 128 25.764 7.892 1.130 1.00 1.44 H new ATOM 0 HB VAL A 128 27.955 8.534 0.235 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.258 9.056 -2.153 1.00 1.92 H new ATOM 0 HG12 VAL A 128 27.912 7.332 -1.880 1.00 1.92 H new ATOM 0 HG13 VAL A 128 26.635 8.410 -2.491 1.00 1.92 H new ATOM 0 HG21 VAL A 128 27.369 10.764 -0.644 1.00 2.16 H new ATOM 0 HG22 VAL A 128 25.694 10.216 -0.891 1.00 2.16 H new ATOM 0 HG23 VAL A 128 26.366 10.310 0.754 1.00 2.16 H new ATOM 1985 N LYS A 129 24.648 7.080 -1.844 1.00 1.07 N ATOM 1986 CA LYS A 129 23.427 7.013 -2.624 1.00 0.88 C ATOM 1987 C LYS A 129 22.962 5.566 -2.702 1.00 0.76 C ATOM 1988 O LYS A 129 23.731 4.678 -3.072 1.00 0.80 O ATOM 1989 CB LYS A 129 23.628 7.596 -4.026 1.00 1.00 C ATOM 1990 CG LYS A 129 24.118 9.038 -4.020 1.00 1.12 C ATOM 1991 CD LYS A 129 23.269 9.922 -3.118 1.00 1.29 C ATOM 1992 CE LYS A 129 23.819 11.337 -3.042 1.00 1.46 C ATOM 1993 NZ LYS A 129 23.197 12.119 -1.941 1.00 1.96 N ATOM 0 H LYS A 129 25.423 6.536 -2.223 1.00 1.07 H new ATOM 0 HA LYS A 129 22.662 7.614 -2.132 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.345 6.979 -4.568 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.686 7.543 -4.571 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.155 9.068 -3.686 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.099 9.432 -5.036 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.246 9.949 -3.493 1.00 1.29 H new ATOM 0 HD3 LYS A 129 23.231 9.492 -2.117 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.898 11.299 -2.894 1.00 1.46 H new ATOM 0 HE3 LYS A 129 23.645 11.845 -3.991 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 23.021 13.092 -2.263 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 22.296 11.677 -1.667 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 23.838 12.136 -1.122 1.00 1.96 H new ATOM 2007 N PRO A 130 21.702 5.313 -2.327 1.00 0.66 N ATOM 2008 CA PRO A 130 21.147 3.960 -2.228 1.00 0.57 C ATOM 2009 C PRO A 130 21.140 3.204 -3.550 1.00 0.52 C ATOM 2010 O PRO A 130 21.193 3.797 -4.629 1.00 0.64 O ATOM 2011 CB PRO A 130 19.710 4.190 -1.752 1.00 0.55 C ATOM 2012 CG PRO A 130 19.414 5.600 -2.118 1.00 0.64 C ATOM 2013 CD PRO A 130 20.712 6.331 -1.960 1.00 0.71 C ATOM 0 HA PRO A 130 21.750 3.344 -1.561 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.017 3.501 -2.236 1.00 0.55 H new ATOM 0 HB3 PRO A 130 19.618 4.032 -0.677 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.045 5.671 -3.141 1.00 0.64 H new ATOM 0 HG3 PRO A 130 18.644 6.021 -1.471 1.00 0.64 H new ATOM 0 HD2 PRO A 130 20.767 7.203 -2.611 1.00 0.71 H new ATOM 0 HD3 PRO A 130 20.855 6.686 -0.939 1.00 0.71 H new ATOM 2021 N ASP A 131 21.055 1.890 -3.447 1.00 0.45 N ATOM 2022 CA ASP A 131 21.022 1.029 -4.623 1.00 0.45 C ATOM 2023 C ASP A 131 19.701 0.278 -4.665 1.00 0.39 C ATOM 2024 O ASP A 131 19.448 -0.603 -3.845 1.00 0.39 O ATOM 2025 CB ASP A 131 22.191 0.038 -4.617 1.00 0.53 C ATOM 2026 CG ASP A 131 22.236 -0.809 -5.877 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.560 -1.858 -5.918 1.00 1.28 O ATOM 2028 OD2 ASP A 131 22.942 -0.435 -6.830 1.00 1.06 O ATOM 0 H ASP A 131 21.007 1.391 -2.559 1.00 0.45 H new ATOM 0 HA ASP A 131 21.117 1.653 -5.511 1.00 0.45 H new ATOM 0 HB2 ASP A 131 23.128 0.586 -4.517 1.00 0.53 H new ATOM 0 HB3 ASP A 131 22.108 -0.613 -3.747 1.00 0.53 H new ATOM 2033 N PHE A 132 18.862 0.637 -5.619 1.00 0.38 N ATOM 2034 CA PHE A 132 17.510 0.099 -5.697 1.00 0.35 C ATOM 2035 C PHE A 132 17.502 -1.322 -6.268 1.00 0.37 C ATOM 2036 O PHE A 132 16.497 -2.029 -6.190 1.00 0.38 O ATOM 2037 CB PHE A 132 16.626 1.030 -6.537 1.00 0.38 C ATOM 2038 CG PHE A 132 16.424 2.396 -5.925 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.420 3.360 -5.995 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.239 2.717 -5.278 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.236 4.610 -5.435 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.052 3.967 -4.717 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.053 4.916 -4.798 1.00 0.46 C ATOM 0 H PHE A 132 19.092 1.303 -6.357 1.00 0.38 H new ATOM 0 HA PHE A 132 17.106 0.043 -4.686 1.00 0.35 H new ATOM 0 HB2 PHE A 132 17.073 1.147 -7.524 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.653 0.560 -6.681 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.350 3.130 -6.493 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.452 1.980 -5.212 1.00 0.35 H new ATOM 0 HE1 PHE A 132 18.021 5.349 -5.497 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.124 4.201 -4.216 1.00 0.40 H new ATOM 0 HZ PHE A 132 15.909 5.894 -4.364 1.00 0.46 H new ATOM 2053 N SER A 133 18.629 -1.741 -6.822 1.00 0.42 N ATOM 2054 CA SER A 133 18.735 -3.054 -7.441 1.00 0.47 C ATOM 2055 C SER A 133 19.073 -4.133 -6.413 1.00 0.48 C ATOM 2056 O SER A 133 18.888 -5.325 -6.671 1.00 0.62 O ATOM 2057 CB SER A 133 19.796 -3.034 -8.547 1.00 0.54 C ATOM 2058 OG SER A 133 19.850 -4.278 -9.230 1.00 1.46 O ATOM 0 H SER A 133 19.486 -1.189 -6.856 1.00 0.42 H new ATOM 0 HA SER A 133 17.765 -3.295 -7.875 1.00 0.47 H new ATOM 0 HB2 SER A 133 19.571 -2.237 -9.256 1.00 0.54 H new ATOM 0 HB3 SER A 133 20.771 -2.811 -8.115 1.00 0.54 H new ATOM 0 HG SER A 133 20.534 -4.237 -9.931 1.00 1.46 H new ATOM 2064 N LYS A 134 19.563 -3.720 -5.252 1.00 0.40 N ATOM 2065 CA LYS A 134 19.962 -4.661 -4.215 1.00 0.43 C ATOM 2066 C LYS A 134 19.251 -4.351 -2.924 1.00 0.39 C ATOM 2067 O LYS A 134 19.462 -5.007 -1.905 1.00 0.46 O ATOM 2068 CB LYS A 134 21.470 -4.615 -3.993 1.00 0.48 C ATOM 2069 CG LYS A 134 22.245 -5.530 -4.926 1.00 0.65 C ATOM 2070 CD LYS A 134 21.945 -6.993 -4.644 1.00 0.78 C ATOM 2071 CE LYS A 134 22.806 -7.917 -5.489 1.00 1.00 C ATOM 2072 NZ LYS A 134 22.597 -9.347 -5.135 1.00 1.87 N ATOM 0 H LYS A 134 19.694 -2.739 -5.005 1.00 0.40 H new ATOM 0 HA LYS A 134 19.686 -5.663 -4.545 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.819 -3.591 -4.128 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.687 -4.892 -2.961 1.00 0.48 H new ATOM 0 HG2 LYS A 134 21.990 -5.298 -5.960 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.314 -5.348 -4.812 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.115 -7.202 -3.588 1.00 0.78 H new ATOM 0 HD3 LYS A 134 20.892 -7.193 -4.843 1.00 0.78 H new ATOM 0 HE2 LYS A 134 22.574 -7.766 -6.543 1.00 1.00 H new ATOM 0 HE3 LYS A 134 23.856 -7.659 -5.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 23.317 -9.930 -5.607 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 22.677 -9.465 -4.105 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 21.651 -9.647 -5.445 1.00 1.87 H new ATOM 2086 N LEU A 135 18.415 -3.338 -2.974 1.00 0.41 N ATOM 2087 CA LEU A 135 17.652 -2.941 -1.823 1.00 0.40 C ATOM 2088 C LEU A 135 16.474 -3.882 -1.647 1.00 0.41 C ATOM 2089 O LEU A 135 15.673 -4.068 -2.560 1.00 0.46 O ATOM 2090 CB LEU A 135 17.179 -1.503 -1.980 1.00 0.41 C ATOM 2091 CG LEU A 135 16.520 -0.924 -0.746 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.522 -0.839 0.398 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.925 0.438 -1.051 1.00 0.74 C ATOM 0 H LEU A 135 18.249 -2.774 -3.808 1.00 0.41 H new ATOM 0 HA LEU A 135 18.279 -2.996 -0.933 1.00 0.40 H new ATOM 0 HB2 LEU A 135 18.032 -0.880 -2.248 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.475 -1.453 -2.810 1.00 0.41 H new ATOM 0 HG LEU A 135 15.709 -1.585 -0.439 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.034 -0.421 1.279 1.00 0.79 H new ATOM 0 HD12 LEU A 135 17.896 -1.837 0.629 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.354 -0.199 0.106 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.455 0.839 -0.153 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.714 1.114 -1.381 1.00 0.74 H new ATOM 0 HD23 LEU A 135 15.178 0.341 -1.838 1.00 0.74 H new ATOM 2105 N GLN A 136 16.393 -4.490 -0.483 1.00 0.40 N ATOM 2106 CA GLN A 136 15.346 -5.443 -0.188 1.00 0.41 C ATOM 2107 C GLN A 136 14.247 -4.774 0.619 1.00 0.38 C ATOM 2108 O GLN A 136 14.517 -4.099 1.613 1.00 0.44 O ATOM 2109 CB GLN A 136 15.918 -6.626 0.591 1.00 0.46 C ATOM 2110 CG GLN A 136 14.896 -7.704 0.893 1.00 0.58 C ATOM 2111 CD GLN A 136 15.442 -8.795 1.787 1.00 0.79 C ATOM 2112 OE1 GLN A 136 15.946 -9.809 1.308 1.00 1.63 O ATOM 2113 NE2 GLN A 136 15.363 -8.590 3.091 1.00 0.72 N ATOM 0 H GLN A 136 17.049 -4.338 0.283 1.00 0.40 H new ATOM 0 HA GLN A 136 14.926 -5.807 -1.126 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.738 -7.063 0.021 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.339 -6.263 1.529 1.00 0.46 H new ATOM 0 HG2 GLN A 136 14.027 -7.251 1.370 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.553 -8.145 -0.043 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.937 -7.735 3.448 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.728 -9.287 3.740 1.00 0.72 H new ATOM 2122 N ARG A 137 13.014 -4.948 0.181 1.00 0.36 N ATOM 2123 CA ARG A 137 11.881 -4.406 0.900 1.00 0.35 C ATOM 2124 C ARG A 137 11.350 -5.434 1.879 1.00 0.35 C ATOM 2125 O ARG A 137 10.756 -6.442 1.474 1.00 0.39 O ATOM 2126 CB ARG A 137 10.757 -4.013 -0.052 1.00 0.43 C ATOM 2127 CG ARG A 137 11.140 -2.980 -1.092 1.00 1.02 C ATOM 2128 CD ARG A 137 9.911 -2.483 -1.830 1.00 1.29 C ATOM 2129 NE ARG A 137 8.994 -3.579 -2.152 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.609 -3.889 -3.383 1.00 1.85 C ATOM 2131 NH1 ARG A 137 9.052 -3.188 -4.417 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.770 -4.897 -3.579 1.00 2.05 N ATOM 0 H ARG A 137 12.774 -5.460 -0.668 1.00 0.36 H new ATOM 0 HA ARG A 137 12.222 -3.517 1.431 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.402 -4.908 -0.563 1.00 0.43 H new ATOM 0 HB3 ARG A 137 9.922 -3.627 0.533 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.645 -2.142 -0.611 1.00 1.02 H new ATOM 0 HG3 ARG A 137 11.845 -3.414 -1.801 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.394 -1.743 -1.219 1.00 1.29 H new ATOM 0 HD3 ARG A 137 10.216 -1.981 -2.748 1.00 1.29 H new ATOM 0 HE ARG A 137 8.629 -4.139 -1.382 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.691 -2.407 -4.268 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.754 -3.429 -5.362 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.422 -5.433 -2.784 1.00 2.05 H new ATOM 0 HH22 ARG A 137 7.473 -5.137 -4.525 1.00 2.05 H new ATOM 2146 N ASN A 138 11.577 -5.201 3.156 1.00 0.35 N ATOM 2147 CA ASN A 138 11.010 -6.054 4.178 1.00 0.39 C ATOM 2148 C ASN A 138 9.745 -5.421 4.720 1.00 0.39 C ATOM 2149 O ASN A 138 9.776 -4.626 5.660 1.00 0.49 O ATOM 2150 CB ASN A 138 12.017 -6.335 5.298 1.00 0.45 C ATOM 2151 CG ASN A 138 11.465 -7.277 6.353 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.531 -8.497 6.214 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.919 -6.719 7.417 1.00 0.67 N ATOM 0 H ASN A 138 12.147 -4.432 3.508 1.00 0.35 H new ATOM 0 HA ASN A 138 10.760 -7.016 3.731 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.922 -6.765 4.869 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.303 -5.395 5.769 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.534 -7.304 8.159 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.882 -5.703 7.498 1.00 0.67 H new ATOM 2160 N ILE A 139 8.639 -5.746 4.076 1.00 0.37 N ATOM 2161 CA ILE A 139 7.348 -5.195 4.431 1.00 0.36 C ATOM 2162 C ILE A 139 6.859 -5.818 5.728 1.00 0.37 C ATOM 2163 O ILE A 139 6.629 -7.024 5.795 1.00 0.46 O ATOM 2164 CB ILE A 139 6.318 -5.454 3.313 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.891 -5.002 1.963 1.00 0.42 C ATOM 2166 CG2 ILE A 139 5.011 -4.731 3.613 1.00 0.43 C ATOM 2167 CD1 ILE A 139 6.088 -5.466 0.766 1.00 0.48 C ATOM 0 H ILE A 139 8.612 -6.399 3.293 1.00 0.37 H new ATOM 0 HA ILE A 139 7.458 -4.119 4.562 1.00 0.36 H new ATOM 0 HB ILE A 139 6.109 -6.523 3.265 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.947 -3.914 1.950 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.911 -5.375 1.870 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.296 -4.925 2.813 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.605 -5.091 4.558 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.196 -3.659 3.682 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.558 -5.106 -0.149 1.00 0.48 H new ATOM 0 HD12 ILE A 139 6.053 -6.555 0.751 1.00 0.48 H new ATOM 0 HD13 ILE A 139 5.074 -5.071 0.833 1.00 0.48 H new ATOM 2179 N LEU A 140 6.726 -4.995 6.754 1.00 0.35 N ATOM 2180 CA LEU A 140 6.277 -5.466 8.052 1.00 0.39 C ATOM 2181 C LEU A 140 4.781 -5.730 8.028 1.00 0.36 C ATOM 2182 O LEU A 140 3.976 -4.845 8.319 1.00 0.37 O ATOM 2183 CB LEU A 140 6.621 -4.449 9.147 1.00 0.47 C ATOM 2184 CG LEU A 140 8.113 -4.164 9.328 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.325 -3.017 10.308 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.837 -5.417 9.797 1.00 0.99 C ATOM 0 H LEU A 140 6.923 -3.995 6.713 1.00 0.35 H new ATOM 0 HA LEU A 140 6.794 -6.399 8.276 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.113 -3.511 8.921 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.219 -4.809 10.094 1.00 0.47 H new ATOM 0 HG LEU A 140 8.529 -3.867 8.365 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.393 -2.830 10.423 1.00 0.88 H new ATOM 0 HD12 LEU A 140 7.838 -2.119 9.928 1.00 0.88 H new ATOM 0 HD13 LEU A 140 7.896 -3.281 11.275 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.898 -5.199 9.922 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.419 -5.744 10.749 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.713 -6.207 9.057 1.00 0.99 H new ATOM 2198 N ALA A 141 4.413 -6.949 7.658 1.00 0.39 N ATOM 2199 CA ALA A 141 3.016 -7.347 7.609 1.00 0.42 C ATOM 2200 C ALA A 141 2.496 -7.611 9.014 1.00 0.49 C ATOM 2201 O ALA A 141 1.299 -7.787 9.234 1.00 0.55 O ATOM 2202 CB ALA A 141 2.840 -8.575 6.729 1.00 0.48 C ATOM 0 H ALA A 141 5.068 -7.682 7.386 1.00 0.39 H new ATOM 0 HA ALA A 141 2.436 -6.533 7.173 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.788 -8.858 6.705 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.178 -8.349 5.718 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.428 -9.399 7.133 1.00 0.48 H new ATOM 2208 N SER A 142 3.419 -7.646 9.962 1.00 0.52 N ATOM 2209 CA SER A 142 3.074 -7.775 11.363 1.00 0.62 C ATOM 2210 C SER A 142 2.760 -6.398 11.943 1.00 0.61 C ATOM 2211 O SER A 142 2.272 -6.272 13.068 1.00 0.70 O ATOM 2212 CB SER A 142 4.226 -8.436 12.127 1.00 0.72 C ATOM 2213 OG SER A 142 3.895 -8.643 13.489 1.00 1.42 O ATOM 0 H SER A 142 4.421 -7.586 9.781 1.00 0.52 H new ATOM 0 HA SER A 142 2.190 -8.405 11.463 1.00 0.62 H new ATOM 0 HB2 SER A 142 4.472 -9.391 11.662 1.00 0.72 H new ATOM 0 HB3 SER A 142 5.116 -7.810 12.059 1.00 0.72 H new ATOM 0 HG SER A 142 3.322 -7.912 13.801 1.00 1.42 H new ATOM 2219 N ASN A 143 3.027 -5.363 11.158 1.00 0.56 N ATOM 2220 CA ASN A 143 2.789 -3.996 11.592 1.00 0.60 C ATOM 2221 C ASN A 143 1.869 -3.277 10.606 1.00 0.49 C ATOM 2222 O ASN A 143 2.325 -2.515 9.751 1.00 0.49 O ATOM 2223 CB ASN A 143 4.118 -3.243 11.729 1.00 0.74 C ATOM 2224 CG ASN A 143 3.949 -1.834 12.274 1.00 1.25 C ATOM 2225 OD1 ASN A 143 3.044 -1.560 13.063 1.00 1.87 O ATOM 2226 ND2 ASN A 143 4.822 -0.930 11.855 1.00 1.91 N ATOM 0 H ASN A 143 3.409 -5.446 10.216 1.00 0.56 H new ATOM 0 HA ASN A 143 2.301 -4.020 12.566 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.781 -3.804 12.387 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.604 -3.194 10.754 1.00 0.74 H new ATOM 0 HD21 ASN A 143 4.758 0.032 12.187 1.00 1.91 H new ATOM 0 HD22 ASN A 143 5.558 -1.196 11.201 1.00 1.91 H new ATOM 2233 N PRO A 144 0.556 -3.545 10.685 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.439 -2.929 9.829 1.00 0.43 C ATOM 2235 C PRO A 144 -1.050 -1.685 10.461 1.00 0.39 C ATOM 2236 O PRO A 144 -1.766 -1.771 11.459 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.500 -4.029 9.688 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.258 -4.996 10.814 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.079 -4.487 11.606 1.00 0.60 C ATOM 0 HA PRO A 144 -0.018 -2.592 8.882 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.505 -3.610 9.745 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.417 -4.528 8.722 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.141 -5.074 11.449 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -1.056 -5.994 10.425 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.393 -3.999 12.529 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.597 -5.295 11.887 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.753 -0.529 9.895 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.338 0.716 10.367 1.00 0.33 C ATOM 2249 C ARG A 145 -2.719 0.898 9.748 1.00 0.30 C ATOM 2250 O ARG A 145 -2.871 1.556 8.721 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.440 1.909 10.020 1.00 0.41 C ATOM 2252 CG ARG A 145 -0.955 3.241 10.552 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.131 3.216 12.063 1.00 1.21 C ATOM 2254 NE ARG A 145 -1.829 4.406 12.550 1.00 1.63 N ATOM 2255 CZ ARG A 145 -2.544 4.443 13.674 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -2.615 3.370 14.455 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -3.183 5.554 14.021 1.00 3.15 N ATOM 0 H ARG A 145 -0.111 -0.425 9.109 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.431 0.669 11.452 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.558 1.730 10.421 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.341 1.975 8.936 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.259 4.035 10.280 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -1.908 3.477 10.079 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -1.690 2.325 12.349 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -0.154 3.147 12.541 1.00 1.21 H new ATOM 0 HE ARG A 145 -1.764 5.260 11.995 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -2.122 2.516 14.195 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -3.163 3.400 15.315 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -3.127 6.381 13.427 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -3.730 5.580 14.882 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.716 0.279 10.356 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.069 0.340 9.838 1.00 0.39 C ATOM 2273 C VAL A 146 -5.819 1.507 10.461 1.00 0.40 C ATOM 2274 O VAL A 146 -6.212 1.460 11.624 1.00 0.43 O ATOM 2275 CB VAL A 146 -5.844 -0.970 10.102 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.234 -0.911 9.484 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.068 -2.165 9.566 1.00 1.11 C ATOM 0 H VAL A 146 -3.613 -0.271 11.209 1.00 0.36 H new ATOM 0 HA VAL A 146 -4.998 0.481 8.760 1.00 0.39 H new ATOM 0 HB VAL A 146 -5.958 -1.088 11.180 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -7.761 -1.844 9.683 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.790 -0.081 9.919 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.148 -0.766 8.407 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.628 -3.080 9.760 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -4.921 -2.051 8.492 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.099 -2.221 10.061 1.00 1.11 H new ATOM 2287 N THR A 147 -5.991 2.561 9.692 1.00 0.40 N ATOM 2288 CA THR A 147 -6.744 3.713 10.149 1.00 0.42 C ATOM 2289 C THR A 147 -8.003 3.860 9.326 1.00 0.35 C ATOM 2290 O THR A 147 -7.950 4.175 8.137 1.00 0.33 O ATOM 2291 CB THR A 147 -5.916 5.006 10.051 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.601 4.784 10.579 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.588 6.138 10.815 1.00 0.52 C ATOM 0 H THR A 147 -5.620 2.645 8.746 1.00 0.40 H new ATOM 0 HA THR A 147 -6.998 3.550 11.196 1.00 0.42 H new ATOM 0 HB THR A 147 -5.845 5.289 9.001 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.426 5.424 11.301 1.00 0.56 H new ATOM 0 HG21 THR A 147 -5.985 7.042 10.731 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.577 6.322 10.396 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.684 5.862 11.865 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.131 3.597 9.949 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.395 3.697 9.261 1.00 0.34 C ATOM 2303 C ARG A 148 -11.058 5.027 9.577 1.00 0.37 C ATOM 2304 O ARG A 148 -10.859 5.602 10.649 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.310 2.529 9.632 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.736 2.523 11.091 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.437 1.227 11.463 1.00 0.88 C ATOM 2308 NE ARG A 148 -11.501 0.106 11.568 1.00 1.48 N ATOM 2309 CZ ARG A 148 -11.873 -1.169 11.692 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -13.160 -1.497 11.680 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -10.958 -2.118 11.830 1.00 3.00 N ATOM 0 H ARG A 148 -9.197 3.314 10.927 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.212 3.648 8.188 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.200 2.563 9.003 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.798 1.593 9.409 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.861 2.660 11.727 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.402 3.365 11.280 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -12.956 1.356 12.413 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -13.195 0.997 10.714 1.00 0.88 H new ATOM 0 HE ARG A 148 -10.502 0.313 11.545 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -13.870 -0.772 11.576 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -13.438 -2.474 11.775 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -9.968 -1.874 11.842 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -11.244 -3.092 11.925 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.824 5.507 8.627 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.471 6.803 8.726 1.00 0.36 C ATOM 2327 C PHE A 149 -13.981 6.636 8.634 1.00 0.38 C ATOM 2328 O PHE A 149 -14.469 5.699 7.996 1.00 0.46 O ATOM 2329 CB PHE A 149 -11.988 7.707 7.590 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.502 7.673 7.370 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.666 8.468 8.137 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -9.941 6.854 6.404 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.302 8.448 7.948 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.573 6.831 6.210 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.761 7.591 6.946 1.00 0.40 C ATOM 0 H PHE A 149 -12.020 5.011 7.758 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.217 7.256 9.684 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.488 7.412 6.667 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.290 8.733 7.802 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.090 9.112 8.893 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.578 6.228 5.797 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.654 9.070 8.548 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.155 6.187 5.450 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.694 7.557 6.783 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.722 7.533 9.260 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.171 7.497 9.173 1.00 0.51 C ATOM 2347 C HIS A 150 -16.637 8.438 8.076 1.00 0.52 C ATOM 2348 O HIS A 150 -16.519 9.657 8.198 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.828 7.876 10.505 1.00 0.64 C ATOM 2350 CG HIS A 150 -18.325 7.774 10.472 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -19.151 8.861 10.284 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -19.142 6.700 10.581 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -20.407 8.462 10.277 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -20.432 7.154 10.454 1.00 2.73 N ATOM 0 H HIS A 150 -14.347 8.291 9.831 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.471 6.476 8.937 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.443 7.227 11.291 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -16.545 8.896 10.766 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.836 5.676 10.739 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -21.270 9.098 10.148 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -21.271 6.576 10.490 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.166 7.872 7.007 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.595 8.652 5.868 1.00 0.50 C ATOM 2365 C ILE A 151 -19.062 8.409 5.594 1.00 0.49 C ATOM 2366 O ILE A 151 -19.743 7.718 6.355 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.799 8.300 4.592 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -17.100 6.865 4.144 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.311 8.482 4.832 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.638 6.564 2.736 1.00 0.64 C ATOM 0 H ILE A 151 -17.308 6.867 6.907 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.417 9.698 6.115 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.108 8.977 3.796 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.620 6.170 4.832 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -18.174 6.689 4.211 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.763 8.230 3.924 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.110 9.519 5.102 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.991 7.828 5.643 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.883 5.532 2.485 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.138 7.235 2.038 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.560 6.707 2.668 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.536 8.967 4.502 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.882 8.717 4.059 1.00 0.51 C ATOM 2384 C ASN A 152 -20.855 7.903 2.775 1.00 0.49 C ATOM 2385 O ASN A 152 -20.309 8.331 1.761 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.665 10.026 3.878 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.009 11.016 2.927 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -20.256 11.954 3.478 1.00 1.78 O flip ATOM 2389 ND2 ASN A 152 -21.215 10.969 1.715 1.00 1.33 N flip ATOM 0 H ASN A 152 -19.003 9.599 3.905 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.402 8.142 4.826 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -22.664 9.791 3.509 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -21.788 10.501 4.851 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.801 10.231 1.326 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -20.799 11.668 1.100 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.402 6.701 2.848 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.534 5.839 1.678 1.00 0.59 C ATOM 2398 C TRP A 153 -22.809 6.211 0.938 1.00 0.72 C ATOM 2399 O TRP A 153 -23.188 5.595 -0.057 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.581 4.368 2.099 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.347 3.895 2.805 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.882 4.314 4.018 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.431 2.898 2.348 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.726 3.647 4.335 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.432 2.769 3.329 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -19.359 2.098 1.204 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.375 1.881 3.199 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -18.307 1.214 1.079 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.328 1.110 2.074 1.00 0.53 C ATOM 0 H TRP A 153 -21.765 6.295 3.710 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.672 5.978 1.025 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.441 4.215 2.751 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.739 3.752 1.213 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.355 5.061 4.638 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.176 3.784 5.183 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -20.112 2.170 0.433 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.615 1.802 3.962 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -18.238 0.592 0.199 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.519 0.405 1.949 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.457 7.229 1.466 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.706 7.736 0.941 1.00 0.99 C ATOM 2422 C GLU A 154 -24.483 9.162 0.458 1.00 0.96 C ATOM 2423 O GLU A 154 -23.387 9.504 0.012 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.749 7.705 2.057 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.900 6.337 2.705 1.00 1.48 C ATOM 2426 CD GLU A 154 -26.465 6.414 4.104 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -27.700 6.458 4.254 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -25.670 6.431 5.069 1.00 2.32 O ATOM 0 H GLU A 154 -23.124 7.735 2.286 1.00 0.80 H new ATOM 0 HA GLU A 154 -25.057 7.128 0.107 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.475 8.432 2.821 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.712 8.016 1.653 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -26.551 5.717 2.088 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -24.928 5.845 2.737 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.511 9.983 0.530 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.349 11.403 0.269 1.00 1.07 C ATOM 2437 C ASP A 155 -25.817 12.191 1.484 1.00 1.02 C ATOM 2438 O ASP A 155 -26.902 12.774 1.486 1.00 1.15 O ATOM 2439 CB ASP A 155 -26.122 11.827 -0.983 1.00 1.41 C ATOM 2440 CG ASP A 155 -25.645 13.156 -1.534 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -24.668 13.176 -2.312 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -26.252 14.190 -1.189 1.00 1.86 O ATOM 0 H ASP A 155 -26.461 9.697 0.765 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.295 11.611 0.086 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -26.015 11.060 -1.750 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -27.184 11.895 -0.746 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.014 12.147 2.542 1.00 1.06 N ATOM 2448 CA ASN A 156 -25.332 12.841 3.786 1.00 1.31 C ATOM 2449 C ASN A 156 -24.047 13.337 4.437 1.00 1.59 C ATOM 2450 O ASN A 156 -23.555 12.678 5.385 1.00 2.09 O ATOM 2451 CB ASN A 156 -26.085 11.932 4.775 1.00 1.55 C ATOM 2452 CG ASN A 156 -27.395 11.388 4.233 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -27.361 10.165 3.729 1.00 2.57 O flip ATOM 2454 ND2 ASN A 156 -28.435 12.049 4.294 1.00 2.27 N flip ATOM 2455 OXT ASN A 156 -23.523 14.376 3.993 1.00 2.05 O ATOM 0 H ASN A 156 -24.132 11.635 2.563 1.00 1.06 H new ATOM 0 HA ASN A 156 -25.981 13.681 3.540 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -25.441 11.096 5.048 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -26.285 12.492 5.688 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -28.419 12.989 4.690 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -29.310 11.656 3.948 1.00 2.27 H new TER 2462 ASN A 156