USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 949 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 80 THR OG1 : rot 180:sc= 0.00436 USER MOD Set 1.2: A 83 SER OG : rot 102:sc= 0.00505 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.116 K(o=0.75,f=-3.6!) USER MOD Set 2.2: A 29 SER OG : rot -23:sc= 0.632 USER MOD Set 3.1: A 21 ASN : amide:sc= 0.547 K(o=0.56,f=-0.091) USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 5 MET CE :methyl -160:sc= -0.157 (180deg=-0.635) USER MOD Single : A 7 MET CE :methyl -165:sc= -0.484 (180deg=-0.876) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -97:sc= -1.6! USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= -0.0031 (180deg=-0.0506) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.244 X(o=0.24,f=-0.0014) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0344 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0363 X(o=-0.036,f=-0.14) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 117:sc= 1.34 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 63 SER OG : rot -74:sc= -0.954! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -25:sc= 0.227 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -2.06! K(o=-2.1!,f=-1.3) USER MOD Single : A 87 SER OG : rot 78:sc= 0.628 USER MOD Single : A 89 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.087) USER MOD Single : A 90 TYR OH : rot 30:sc= -0.0321 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 CYS SG : rot 72:sc= -1.47 USER MOD Single : A 101 ASN : amide:sc= -0.683 K(o=-0.68,f=-7.8!) USER MOD Single : A 104 SER OG : rot 180:sc= 0.496 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 40:sc= 0.0528 USER MOD Single : A 116 CYS SG : rot -130:sc= -1.53 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 5.123 10.602 -7.674 1.00 0.61 N ATOM 2 CA ALA A 4 4.310 9.470 -7.272 1.00 0.53 C ATOM 3 C ALA A 4 4.580 8.267 -8.169 1.00 0.44 C ATOM 4 O ALA A 4 4.131 8.221 -9.316 1.00 0.54 O ATOM 5 CB ALA A 4 2.834 9.840 -7.303 1.00 0.64 C ATOM 0 HA ALA A 4 4.578 9.200 -6.251 1.00 0.53 H new ATOM 0 HB1 ALA A 4 2.237 8.980 -6.999 1.00 0.64 H new ATOM 0 HB2 ALA A 4 2.652 10.669 -6.618 1.00 0.64 H new ATOM 0 HB3 ALA A 4 2.554 10.137 -8.314 1.00 0.64 H new ATOM 11 N MET A 5 5.325 7.304 -7.656 1.00 0.39 N ATOM 12 CA MET A 5 5.587 6.075 -8.389 1.00 0.37 C ATOM 13 C MET A 5 4.594 5.005 -7.977 1.00 0.30 C ATOM 14 O MET A 5 4.518 4.651 -6.810 1.00 0.29 O ATOM 15 CB MET A 5 7.010 5.590 -8.128 1.00 0.43 C ATOM 16 CG MET A 5 8.061 6.298 -8.964 1.00 1.01 C ATOM 17 SD MET A 5 7.884 5.968 -10.730 1.00 1.80 S ATOM 18 CE MET A 5 8.176 4.199 -10.779 1.00 1.60 C ATOM 0 H MET A 5 5.760 7.348 -6.734 1.00 0.39 H new ATOM 0 HA MET A 5 5.477 6.276 -9.455 1.00 0.37 H new ATOM 0 HB2 MET A 5 7.244 5.730 -7.073 1.00 0.43 H new ATOM 0 HB3 MET A 5 7.061 4.520 -8.327 1.00 0.43 H new ATOM 0 HG2 MET A 5 7.994 7.372 -8.791 1.00 1.01 H new ATOM 0 HG3 MET A 5 9.052 5.983 -8.637 1.00 1.01 H new ATOM 0 HE1 MET A 5 8.452 3.904 -11.791 1.00 1.60 H new ATOM 0 HE2 MET A 5 8.985 3.945 -10.094 1.00 1.60 H new ATOM 0 HE3 MET A 5 7.269 3.672 -10.482 1.00 1.60 H new ATOM 28 N PRO A 6 3.812 4.483 -8.927 1.00 0.30 N ATOM 29 CA PRO A 6 2.799 3.467 -8.639 1.00 0.28 C ATOM 30 C PRO A 6 3.393 2.290 -7.875 1.00 0.27 C ATOM 31 O PRO A 6 4.363 1.675 -8.317 1.00 0.30 O ATOM 32 CB PRO A 6 2.299 3.027 -10.022 1.00 0.32 C ATOM 33 CG PRO A 6 3.234 3.637 -11.016 1.00 0.47 C ATOM 34 CD PRO A 6 3.864 4.827 -10.352 1.00 0.36 C ATOM 0 HA PRO A 6 1.999 3.853 -8.008 1.00 0.28 H new ATOM 0 HB2 PRO A 6 2.295 1.940 -10.107 1.00 0.32 H new ATOM 0 HB3 PRO A 6 1.276 3.364 -10.192 1.00 0.32 H new ATOM 0 HG2 PRO A 6 3.994 2.918 -11.322 1.00 0.47 H new ATOM 0 HG3 PRO A 6 2.698 3.937 -11.917 1.00 0.47 H new ATOM 0 HD2 PRO A 6 4.888 4.982 -10.692 1.00 0.36 H new ATOM 0 HD3 PRO A 6 3.315 5.744 -10.565 1.00 0.36 H new ATOM 42 N MET A 7 2.816 1.994 -6.715 1.00 0.24 N ATOM 43 CA MET A 7 3.362 0.977 -5.829 1.00 0.24 C ATOM 44 C MET A 7 3.319 -0.404 -6.467 1.00 0.28 C ATOM 45 O MET A 7 4.172 -1.233 -6.186 1.00 0.32 O ATOM 46 CB MET A 7 2.631 0.970 -4.486 1.00 0.22 C ATOM 47 CG MET A 7 3.329 1.798 -3.419 1.00 0.31 C ATOM 48 SD MET A 7 4.901 1.079 -2.907 1.00 0.62 S ATOM 49 CE MET A 7 4.354 -0.480 -2.219 1.00 0.63 C ATOM 0 H MET A 7 1.970 2.445 -6.368 1.00 0.24 H new ATOM 0 HA MET A 7 4.407 1.230 -5.651 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.620 1.351 -4.628 1.00 0.22 H new ATOM 0 HB3 MET A 7 2.538 -0.058 -4.136 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.500 2.805 -3.799 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.676 1.892 -2.551 1.00 0.31 H new ATOM 0 HE1 MET A 7 5.157 -0.918 -1.627 1.00 0.63 H new ATOM 0 HE2 MET A 7 3.485 -0.312 -1.583 1.00 0.63 H new ATOM 0 HE3 MET A 7 4.086 -1.160 -3.027 1.00 0.63 H new ATOM 59 N ILE A 8 2.337 -0.650 -7.328 1.00 0.29 N ATOM 60 CA ILE A 8 2.275 -1.916 -8.053 1.00 0.33 C ATOM 61 C ILE A 8 3.442 -2.015 -9.042 1.00 0.36 C ATOM 62 O ILE A 8 4.031 -3.084 -9.223 1.00 0.39 O ATOM 63 CB ILE A 8 0.928 -2.080 -8.795 1.00 0.37 C ATOM 64 CG1 ILE A 8 -0.227 -2.203 -7.792 1.00 0.42 C ATOM 65 CG2 ILE A 8 0.955 -3.288 -9.726 1.00 0.47 C ATOM 66 CD1 ILE A 8 -0.145 -3.435 -6.911 1.00 0.51 C ATOM 0 H ILE A 8 1.581 0.001 -7.540 1.00 0.29 H new ATOM 0 HA ILE A 8 2.353 -2.723 -7.325 1.00 0.33 H new ATOM 0 HB ILE A 8 0.770 -1.189 -9.403 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.242 -1.316 -7.159 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -1.170 -2.221 -8.338 1.00 0.42 H new ATOM 0 HG21 ILE A 8 -0.005 -3.378 -10.234 1.00 0.47 H new ATOM 0 HG22 ILE A 8 1.746 -3.160 -10.465 1.00 0.47 H new ATOM 0 HG23 ILE A 8 1.144 -4.191 -9.145 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -0.995 -3.452 -6.229 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -0.161 -4.329 -7.534 1.00 0.51 H new ATOM 0 HD13 ILE A 8 0.781 -3.410 -6.336 1.00 0.51 H new ATOM 78 N GLU A 9 3.783 -0.884 -9.655 1.00 0.38 N ATOM 79 CA GLU A 9 4.951 -0.788 -10.529 1.00 0.42 C ATOM 80 C GLU A 9 6.209 -1.104 -9.726 1.00 0.39 C ATOM 81 O GLU A 9 7.076 -1.869 -10.157 1.00 0.39 O ATOM 82 CB GLU A 9 5.048 0.627 -11.105 1.00 0.50 C ATOM 83 CG GLU A 9 6.153 0.816 -12.127 1.00 0.66 C ATOM 84 CD GLU A 9 5.785 0.263 -13.486 1.00 0.86 C ATOM 85 OE1 GLU A 9 4.898 0.835 -14.150 1.00 0.83 O ATOM 86 OE2 GLU A 9 6.381 -0.753 -13.896 1.00 1.72 O ATOM 0 H GLU A 9 3.261 -0.013 -9.561 1.00 0.38 H new ATOM 0 HA GLU A 9 4.854 -1.501 -11.348 1.00 0.42 H new ATOM 0 HB2 GLU A 9 4.095 0.883 -11.568 1.00 0.50 H new ATOM 0 HB3 GLU A 9 5.204 1.329 -10.286 1.00 0.50 H new ATOM 0 HG2 GLU A 9 6.380 1.878 -12.220 1.00 0.66 H new ATOM 0 HG3 GLU A 9 7.060 0.326 -11.772 1.00 0.66 H new ATOM 93 N TYR A 10 6.284 -0.503 -8.544 1.00 0.41 N ATOM 94 CA TYR A 10 7.381 -0.733 -7.617 1.00 0.42 C ATOM 95 C TYR A 10 7.462 -2.211 -7.248 1.00 0.43 C ATOM 96 O TYR A 10 8.544 -2.805 -7.237 1.00 0.45 O ATOM 97 CB TYR A 10 7.182 0.127 -6.361 1.00 0.43 C ATOM 98 CG TYR A 10 8.272 -0.019 -5.322 1.00 0.44 C ATOM 99 CD1 TYR A 10 9.444 0.721 -5.409 1.00 0.47 C ATOM 100 CD2 TYR A 10 8.131 -0.900 -4.260 1.00 0.43 C ATOM 101 CE1 TYR A 10 10.445 0.589 -4.466 1.00 0.50 C ATOM 102 CE2 TYR A 10 9.125 -1.039 -3.310 1.00 0.45 C ATOM 103 CZ TYR A 10 10.274 -0.281 -3.408 1.00 0.47 C ATOM 104 OH TYR A 10 11.271 -0.429 -2.472 1.00 0.51 O ATOM 0 H TYR A 10 5.585 0.157 -8.203 1.00 0.41 H new ATOM 0 HA TYR A 10 8.319 -0.450 -8.094 1.00 0.42 H new ATOM 0 HB2 TYR A 10 7.119 1.174 -6.659 1.00 0.43 H new ATOM 0 HB3 TYR A 10 6.226 -0.133 -5.906 1.00 0.43 H new ATOM 0 HD1 TYR A 10 9.575 1.412 -6.229 1.00 0.47 H new ATOM 0 HD2 TYR A 10 7.229 -1.487 -4.174 1.00 0.43 H new ATOM 0 HE1 TYR A 10 11.356 1.163 -4.556 1.00 0.50 H new ATOM 0 HE2 TYR A 10 9.003 -1.737 -2.495 1.00 0.45 H new ATOM 0 HH TYR A 10 10.989 -1.078 -1.794 1.00 0.51 H new ATOM 114 N LEU A 11 6.310 -2.804 -6.965 1.00 0.43 N ATOM 115 CA LEU A 11 6.241 -4.213 -6.613 1.00 0.46 C ATOM 116 C LEU A 11 6.734 -5.084 -7.760 1.00 0.44 C ATOM 117 O LEU A 11 7.557 -5.967 -7.550 1.00 0.48 O ATOM 118 CB LEU A 11 4.814 -4.612 -6.226 1.00 0.50 C ATOM 119 CG LEU A 11 4.251 -3.897 -4.996 1.00 0.58 C ATOM 120 CD1 LEU A 11 2.823 -4.335 -4.734 1.00 0.66 C ATOM 121 CD2 LEU A 11 5.120 -4.157 -3.774 1.00 0.77 C ATOM 0 H LEU A 11 5.408 -2.328 -6.973 1.00 0.43 H new ATOM 0 HA LEU A 11 6.891 -4.371 -5.752 1.00 0.46 H new ATOM 0 HB2 LEU A 11 4.156 -4.417 -7.073 1.00 0.50 H new ATOM 0 HB3 LEU A 11 4.790 -5.687 -6.045 1.00 0.50 H new ATOM 0 HG LEU A 11 4.254 -2.825 -5.195 1.00 0.58 H new ATOM 0 HD11 LEU A 11 2.439 -3.816 -3.856 1.00 0.66 H new ATOM 0 HD12 LEU A 11 2.204 -4.093 -5.598 1.00 0.66 H new ATOM 0 HD13 LEU A 11 2.799 -5.411 -4.560 1.00 0.66 H new ATOM 0 HD21 LEU A 11 4.700 -3.639 -2.912 1.00 0.77 H new ATOM 0 HD22 LEU A 11 5.154 -5.228 -3.573 1.00 0.77 H new ATOM 0 HD23 LEU A 11 6.130 -3.791 -3.961 1.00 0.77 H new ATOM 133 N GLU A 12 6.259 -4.811 -8.969 1.00 0.40 N ATOM 134 CA GLU A 12 6.636 -5.605 -10.136 1.00 0.40 C ATOM 135 C GLU A 12 8.146 -5.573 -10.358 1.00 0.44 C ATOM 136 O GLU A 12 8.799 -6.619 -10.417 1.00 0.49 O ATOM 137 CB GLU A 12 5.911 -5.096 -11.389 1.00 0.40 C ATOM 138 CG GLU A 12 6.291 -5.847 -12.655 1.00 0.43 C ATOM 139 CD GLU A 12 5.514 -5.398 -13.875 1.00 0.47 C ATOM 140 OE1 GLU A 12 5.958 -4.455 -14.560 1.00 0.59 O ATOM 141 OE2 GLU A 12 4.460 -5.999 -14.167 1.00 0.51 O ATOM 0 H GLU A 12 5.613 -4.047 -9.169 1.00 0.40 H new ATOM 0 HA GLU A 12 6.338 -6.637 -9.948 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.835 -5.179 -11.236 1.00 0.40 H new ATOM 0 HB3 GLU A 12 6.133 -4.037 -11.523 1.00 0.40 H new ATOM 0 HG2 GLU A 12 7.356 -5.713 -12.842 1.00 0.43 H new ATOM 0 HG3 GLU A 12 6.126 -6.913 -12.500 1.00 0.43 H new ATOM 148 N ARG A 13 8.698 -4.369 -10.430 1.00 0.45 N ATOM 149 CA ARG A 13 10.101 -4.193 -10.785 1.00 0.52 C ATOM 150 C ARG A 13 11.037 -4.581 -9.643 1.00 0.58 C ATOM 151 O ARG A 13 12.019 -5.293 -9.853 1.00 0.62 O ATOM 152 CB ARG A 13 10.382 -2.741 -11.184 1.00 0.56 C ATOM 153 CG ARG A 13 9.536 -2.235 -12.338 1.00 0.54 C ATOM 154 CD ARG A 13 9.902 -0.802 -12.689 1.00 0.67 C ATOM 155 NE ARG A 13 9.031 -0.236 -13.715 1.00 1.25 N ATOM 156 CZ ARG A 13 9.327 0.849 -14.430 1.00 1.51 C ATOM 157 NH1 ARG A 13 10.505 1.445 -14.286 1.00 1.38 N ATOM 158 NH2 ARG A 13 8.450 1.312 -15.311 1.00 2.48 N ATOM 0 H ARG A 13 8.196 -3.500 -10.247 1.00 0.45 H new ATOM 0 HA ARG A 13 10.293 -4.855 -11.630 1.00 0.52 H new ATOM 0 HB2 ARG A 13 10.215 -2.100 -10.318 1.00 0.56 H new ATOM 0 HB3 ARG A 13 11.434 -2.647 -11.452 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.680 -2.875 -13.208 1.00 0.54 H new ATOM 0 HG3 ARG A 13 8.480 -2.291 -12.072 1.00 0.54 H new ATOM 0 HD2 ARG A 13 9.847 -0.186 -11.791 1.00 0.67 H new ATOM 0 HD3 ARG A 13 10.935 -0.769 -13.036 1.00 0.67 H new ATOM 0 HE ARG A 13 8.141 -0.700 -13.896 1.00 1.25 H new ATOM 0 HH11 ARG A 13 11.188 1.073 -13.626 1.00 1.38 H new ATOM 0 HH12 ARG A 13 10.727 2.275 -14.835 1.00 1.38 H new ATOM 0 HH21 ARG A 13 7.556 0.838 -15.438 1.00 2.48 H new ATOM 0 HH22 ARG A 13 8.670 2.142 -15.862 1.00 2.48 H new ATOM 172 N PHE A 14 10.732 -4.118 -8.438 1.00 0.60 N ATOM 173 CA PHE A 14 11.684 -4.203 -7.336 1.00 0.69 C ATOM 174 C PHE A 14 11.366 -5.331 -6.357 1.00 0.71 C ATOM 175 O PHE A 14 12.254 -6.091 -5.974 1.00 0.83 O ATOM 176 CB PHE A 14 11.734 -2.866 -6.592 1.00 0.72 C ATOM 177 CG PHE A 14 12.053 -1.696 -7.483 1.00 0.73 C ATOM 178 CD1 PHE A 14 13.366 -1.387 -7.798 1.00 0.87 C ATOM 179 CD2 PHE A 14 11.040 -0.907 -8.005 1.00 0.64 C ATOM 180 CE1 PHE A 14 13.660 -0.315 -8.618 1.00 0.91 C ATOM 181 CE2 PHE A 14 11.329 0.165 -8.826 1.00 0.67 C ATOM 182 CZ PHE A 14 12.641 0.463 -9.131 1.00 0.81 C ATOM 0 H PHE A 14 9.841 -3.683 -8.199 1.00 0.60 H new ATOM 0 HA PHE A 14 12.657 -4.430 -7.773 1.00 0.69 H new ATOM 0 HB2 PHE A 14 10.773 -2.692 -6.108 1.00 0.72 H new ATOM 0 HB3 PHE A 14 12.483 -2.926 -5.802 1.00 0.72 H new ATOM 0 HD1 PHE A 14 14.168 -1.990 -7.399 1.00 0.87 H new ATOM 0 HD2 PHE A 14 10.011 -1.134 -7.767 1.00 0.64 H new ATOM 0 HE1 PHE A 14 14.688 -0.085 -8.858 1.00 0.91 H new ATOM 0 HE2 PHE A 14 10.529 0.769 -9.229 1.00 0.67 H new ATOM 0 HZ PHE A 14 12.871 1.303 -9.770 1.00 0.81 H new ATOM 192 N SER A 15 10.109 -5.446 -5.953 1.00 0.63 N ATOM 193 CA SER A 15 9.743 -6.383 -4.897 1.00 0.67 C ATOM 194 C SER A 15 9.602 -7.809 -5.435 1.00 0.69 C ATOM 195 O SER A 15 10.018 -8.773 -4.789 1.00 0.78 O ATOM 196 CB SER A 15 8.440 -5.933 -4.232 1.00 0.65 C ATOM 197 OG SER A 15 8.052 -6.820 -3.198 1.00 1.36 O ATOM 0 H SER A 15 9.331 -4.908 -6.335 1.00 0.63 H new ATOM 0 HA SER A 15 10.543 -6.389 -4.157 1.00 0.67 H new ATOM 0 HB2 SER A 15 8.566 -4.930 -3.824 1.00 0.65 H new ATOM 0 HB3 SER A 15 7.649 -5.876 -4.980 1.00 0.65 H new ATOM 0 HG SER A 15 7.391 -7.456 -3.543 1.00 1.36 H new ATOM 203 N LEU A 16 9.022 -7.930 -6.618 1.00 0.63 N ATOM 204 CA LEU A 16 8.821 -9.226 -7.247 1.00 0.68 C ATOM 205 C LEU A 16 10.009 -9.584 -8.123 1.00 0.79 C ATOM 206 O LEU A 16 10.416 -10.746 -8.183 1.00 0.89 O ATOM 207 CB LEU A 16 7.546 -9.215 -8.093 1.00 0.62 C ATOM 208 CG LEU A 16 6.240 -9.028 -7.317 1.00 0.60 C ATOM 209 CD1 LEU A 16 5.066 -8.913 -8.275 1.00 1.24 C ATOM 210 CD2 LEU A 16 6.022 -10.183 -6.352 1.00 1.20 C ATOM 0 H LEU A 16 8.680 -7.140 -7.166 1.00 0.63 H new ATOM 0 HA LEU A 16 8.723 -9.974 -6.460 1.00 0.68 H new ATOM 0 HB2 LEU A 16 7.627 -8.416 -8.830 1.00 0.62 H new ATOM 0 HB3 LEU A 16 7.489 -10.153 -8.645 1.00 0.62 H new ATOM 0 HG LEU A 16 6.312 -8.105 -6.741 1.00 0.60 H new ATOM 0 HD11 LEU A 16 4.145 -8.780 -7.707 1.00 1.24 H new ATOM 0 HD12 LEU A 16 5.214 -8.055 -8.931 1.00 1.24 H new ATOM 0 HD13 LEU A 16 4.995 -9.821 -8.875 1.00 1.24 H new ATOM 0 HD21 LEU A 16 5.089 -10.033 -5.809 1.00 1.20 H new ATOM 0 HD22 LEU A 16 5.971 -11.118 -6.910 1.00 1.20 H new ATOM 0 HD23 LEU A 16 6.850 -10.227 -5.645 1.00 1.20 H new ATOM 222 N LYS A 17 10.565 -8.568 -8.789 1.00 0.83 N ATOM 223 CA LYS A 17 11.649 -8.765 -9.748 1.00 0.97 C ATOM 224 C LYS A 17 11.169 -9.674 -10.873 1.00 1.01 C ATOM 225 O LYS A 17 11.901 -10.535 -11.372 1.00 1.15 O ATOM 226 CB LYS A 17 12.879 -9.334 -9.050 1.00 1.10 C ATOM 227 CG LYS A 17 13.403 -8.412 -7.969 1.00 1.13 C ATOM 228 CD LYS A 17 14.539 -9.041 -7.201 1.00 1.17 C ATOM 229 CE LYS A 17 14.919 -8.195 -5.999 1.00 1.61 C ATOM 230 NZ LYS A 17 15.408 -6.847 -6.392 1.00 2.03 N ATOM 0 H LYS A 17 10.278 -7.596 -8.678 1.00 0.83 H new ATOM 0 HA LYS A 17 11.936 -7.806 -10.180 1.00 0.97 H new ATOM 0 HB2 LYS A 17 12.631 -10.301 -8.611 1.00 1.10 H new ATOM 0 HB3 LYS A 17 13.663 -9.510 -9.786 1.00 1.10 H new ATOM 0 HG2 LYS A 17 13.741 -7.479 -8.419 1.00 1.13 H new ATOM 0 HG3 LYS A 17 12.595 -8.160 -7.282 1.00 1.13 H new ATOM 0 HD2 LYS A 17 14.251 -10.039 -6.871 1.00 1.17 H new ATOM 0 HD3 LYS A 17 15.403 -9.159 -7.855 1.00 1.17 H new ATOM 0 HE2 LYS A 17 14.054 -8.089 -5.344 1.00 1.61 H new ATOM 0 HE3 LYS A 17 15.692 -8.707 -5.426 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 15.766 -6.349 -5.552 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 16.174 -6.945 -7.089 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 14.627 -6.303 -6.810 1.00 2.03 H new ATOM 244 N ALA A 18 9.919 -9.460 -11.255 1.00 0.95 N ATOM 245 CA ALA A 18 9.239 -10.294 -12.225 1.00 1.03 C ATOM 246 C ALA A 18 8.142 -9.483 -12.902 1.00 1.02 C ATOM 247 O ALA A 18 8.248 -8.262 -12.998 1.00 1.34 O ATOM 248 CB ALA A 18 8.664 -11.519 -11.531 1.00 1.06 C ATOM 0 H ALA A 18 9.347 -8.696 -10.896 1.00 0.95 H new ATOM 0 HA ALA A 18 9.942 -10.632 -12.986 1.00 1.03 H new ATOM 0 HB1 ALA A 18 8.153 -12.145 -12.262 1.00 1.06 H new ATOM 0 HB2 ALA A 18 9.471 -12.087 -11.068 1.00 1.06 H new ATOM 0 HB3 ALA A 18 7.956 -11.204 -10.765 1.00 1.06 H new ATOM 254 N LYS A 19 7.095 -10.146 -13.369 1.00 0.80 N ATOM 255 CA LYS A 19 5.999 -9.450 -14.019 1.00 0.77 C ATOM 256 C LYS A 19 4.737 -9.533 -13.167 1.00 0.64 C ATOM 257 O LYS A 19 4.364 -10.611 -12.696 1.00 0.74 O ATOM 258 CB LYS A 19 5.749 -10.039 -15.401 1.00 0.93 C ATOM 259 CG LYS A 19 4.861 -9.173 -16.275 1.00 1.52 C ATOM 260 CD LYS A 19 4.771 -9.730 -17.682 1.00 1.71 C ATOM 261 CE LYS A 19 4.146 -8.733 -18.643 1.00 1.93 C ATOM 262 NZ LYS A 19 4.174 -9.227 -20.045 1.00 2.69 N ATOM 0 H LYS A 19 6.983 -11.158 -13.310 1.00 0.80 H new ATOM 0 HA LYS A 19 6.269 -8.400 -14.132 1.00 0.77 H new ATOM 0 HB2 LYS A 19 6.705 -10.188 -15.903 1.00 0.93 H new ATOM 0 HB3 LYS A 19 5.290 -11.022 -15.291 1.00 0.93 H new ATOM 0 HG2 LYS A 19 3.864 -9.114 -15.840 1.00 1.52 H new ATOM 0 HG3 LYS A 19 5.256 -8.158 -16.307 1.00 1.52 H new ATOM 0 HD2 LYS A 19 5.768 -9.997 -18.032 1.00 1.71 H new ATOM 0 HD3 LYS A 19 4.181 -10.646 -17.673 1.00 1.71 H new ATOM 0 HE2 LYS A 19 3.115 -8.539 -18.346 1.00 1.93 H new ATOM 0 HE3 LYS A 19 4.679 -7.785 -18.581 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 3.739 -8.520 -20.671 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 5.159 -9.388 -20.337 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 3.643 -10.119 -20.109 1.00 2.69 H new ATOM 276 N ILE A 20 4.085 -8.396 -12.971 1.00 0.57 N ATOM 277 CA ILE A 20 2.910 -8.324 -12.120 1.00 0.52 C ATOM 278 C ILE A 20 1.661 -8.750 -12.903 1.00 0.54 C ATOM 279 O ILE A 20 1.502 -8.417 -14.078 1.00 0.64 O ATOM 280 CB ILE A 20 2.740 -6.887 -11.531 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.518 -6.940 -10.016 1.00 0.46 C ATOM 282 CG2 ILE A 20 1.605 -6.120 -12.200 1.00 0.92 C ATOM 283 CD1 ILE A 20 1.265 -7.676 -9.596 1.00 0.72 C ATOM 0 H ILE A 20 4.353 -7.507 -13.393 1.00 0.57 H new ATOM 0 HA ILE A 20 3.042 -9.012 -11.285 1.00 0.52 H new ATOM 0 HB ILE A 20 3.667 -6.351 -11.736 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.380 -7.419 -9.551 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.473 -5.921 -9.631 1.00 0.46 H new ATOM 0 HG21 ILE A 20 1.526 -5.127 -11.757 1.00 0.92 H new ATOM 0 HG22 ILE A 20 1.808 -6.026 -13.267 1.00 0.92 H new ATOM 0 HG23 ILE A 20 0.668 -6.657 -12.055 1.00 0.92 H new ATOM 0 HD11 ILE A 20 1.184 -7.666 -8.509 1.00 0.72 H new ATOM 0 HD12 ILE A 20 0.393 -7.186 -10.029 1.00 0.72 H new ATOM 0 HD13 ILE A 20 1.314 -8.707 -9.947 1.00 0.72 H new ATOM 295 N ASN A 21 0.798 -9.510 -12.257 1.00 0.58 N ATOM 296 CA ASN A 21 -0.454 -9.952 -12.856 1.00 0.72 C ATOM 297 C ASN A 21 -1.433 -10.312 -11.758 1.00 0.78 C ATOM 298 O ASN A 21 -1.092 -10.231 -10.581 1.00 0.77 O ATOM 299 CB ASN A 21 -0.242 -11.176 -13.751 1.00 0.80 C ATOM 300 CG ASN A 21 -0.607 -10.928 -15.206 1.00 1.21 C ATOM 301 OD1 ASN A 21 -1.137 -11.809 -15.885 1.00 1.78 O ATOM 302 ND2 ASN A 21 -0.295 -9.745 -15.709 1.00 1.71 N ATOM 0 H ASN A 21 0.942 -9.840 -11.303 1.00 0.58 H new ATOM 0 HA ASN A 21 -0.844 -9.138 -13.468 1.00 0.72 H new ATOM 0 HB2 ASN A 21 0.802 -11.483 -13.693 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -0.840 -12.004 -13.370 1.00 0.80 H new ATOM 0 HD21 ASN A 21 -0.493 -9.539 -16.688 1.00 1.71 H new ATOM 0 HD22 ASN A 21 0.143 -9.039 -15.118 1.00 1.71 H new ATOM 309 N ASN A 22 -2.637 -10.710 -12.126 1.00 0.97 N ATOM 310 CA ASN A 22 -3.589 -11.213 -11.146 1.00 1.09 C ATOM 311 C ASN A 22 -3.237 -12.658 -10.807 1.00 1.03 C ATOM 312 O ASN A 22 -3.516 -13.151 -9.716 1.00 1.07 O ATOM 313 CB ASN A 22 -5.020 -11.120 -11.693 1.00 1.41 C ATOM 314 CG ASN A 22 -6.074 -11.483 -10.663 1.00 1.73 C ATOM 315 OD1 ASN A 22 -6.432 -12.648 -10.508 1.00 2.31 O ATOM 316 ND2 ASN A 22 -6.602 -10.483 -9.970 1.00 2.35 N ATOM 0 H ASN A 22 -2.979 -10.696 -13.087 1.00 0.97 H new ATOM 0 HA ASN A 22 -3.536 -10.607 -10.242 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -5.202 -10.106 -12.049 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -5.118 -11.782 -12.553 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -7.331 -10.669 -9.281 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -6.279 -9.528 -10.126 1.00 2.35 H new ATOM 323 N THR A 23 -2.572 -13.311 -11.754 1.00 1.00 N ATOM 324 CA THR A 23 -2.234 -14.719 -11.644 1.00 1.05 C ATOM 325 C THR A 23 -0.967 -14.957 -10.820 1.00 1.02 C ATOM 326 O THR A 23 -0.661 -16.095 -10.462 1.00 1.21 O ATOM 327 CB THR A 23 -2.053 -15.330 -13.045 1.00 1.19 C ATOM 328 OG1 THR A 23 -1.220 -14.474 -13.838 1.00 1.51 O ATOM 329 CG2 THR A 23 -3.394 -15.524 -13.736 1.00 1.79 C ATOM 0 H THR A 23 -2.253 -12.875 -12.619 1.00 1.00 H new ATOM 0 HA THR A 23 -3.061 -15.203 -11.125 1.00 1.05 H new ATOM 0 HB THR A 23 -1.582 -16.307 -12.935 1.00 1.19 H new ATOM 0 HG1 THR A 23 -1.104 -14.865 -14.729 1.00 1.51 H new ATOM 0 HG21 THR A 23 -3.235 -15.957 -14.724 1.00 1.79 H new ATOM 0 HG22 THR A 23 -4.016 -16.194 -13.142 1.00 1.79 H new ATOM 0 HG23 THR A 23 -3.893 -14.561 -13.838 1.00 1.79 H new ATOM 337 N THR A 24 -0.224 -13.897 -10.523 1.00 0.87 N ATOM 338 CA THR A 24 0.983 -14.036 -9.720 1.00 0.91 C ATOM 339 C THR A 24 0.599 -14.143 -8.243 1.00 0.98 C ATOM 340 O THR A 24 -0.565 -13.941 -7.887 1.00 1.91 O ATOM 341 CB THR A 24 1.960 -12.860 -9.946 1.00 0.88 C ATOM 342 OG1 THR A 24 3.222 -13.129 -9.323 1.00 1.37 O ATOM 343 CG2 THR A 24 1.401 -11.554 -9.404 1.00 1.74 C ATOM 0 H THR A 24 -0.433 -12.944 -10.822 1.00 0.87 H new ATOM 0 HA THR A 24 1.500 -14.944 -10.029 1.00 0.91 H new ATOM 0 HB THR A 24 2.097 -12.757 -11.022 1.00 0.88 H new ATOM 0 HG1 THR A 24 3.830 -12.376 -9.477 1.00 1.37 H new ATOM 0 HG21 THR A 24 2.116 -10.751 -9.581 1.00 1.74 H new ATOM 0 HG22 THR A 24 0.463 -11.323 -9.908 1.00 1.74 H new ATOM 0 HG23 THR A 24 1.223 -11.651 -8.333 1.00 1.74 H new ATOM 351 N ASN A 25 1.567 -14.462 -7.391 1.00 0.72 N ATOM 352 CA ASN A 25 1.302 -14.687 -5.969 1.00 0.79 C ATOM 353 C ASN A 25 1.157 -13.357 -5.230 1.00 0.73 C ATOM 354 O ASN A 25 1.721 -13.144 -4.161 1.00 0.72 O ATOM 355 CB ASN A 25 2.408 -15.574 -5.350 1.00 1.00 C ATOM 356 CG ASN A 25 3.750 -14.874 -5.167 1.00 1.96 C ATOM 357 OD1 ASN A 25 4.073 -14.397 -4.075 1.00 2.69 O ATOM 358 ND2 ASN A 25 4.549 -14.820 -6.222 1.00 2.58 N ATOM 0 H ASN A 25 2.545 -14.572 -7.658 1.00 0.72 H new ATOM 0 HA ASN A 25 0.356 -15.219 -5.865 1.00 0.79 H new ATOM 0 HB2 ASN A 25 2.066 -15.936 -4.380 1.00 1.00 H new ATOM 0 HB3 ASN A 25 2.552 -16.449 -5.984 1.00 1.00 H new ATOM 0 HD21 ASN A 25 5.463 -14.374 -6.147 1.00 2.58 H new ATOM 0 HD22 ASN A 25 4.250 -15.225 -7.109 1.00 2.58 H new ATOM 365 N LEU A 26 0.327 -12.491 -5.796 1.00 0.82 N ATOM 366 CA LEU A 26 0.184 -11.117 -5.340 1.00 0.88 C ATOM 367 C LEU A 26 -0.194 -11.051 -3.856 1.00 0.83 C ATOM 368 O LEU A 26 0.373 -10.251 -3.107 1.00 0.86 O ATOM 369 CB LEU A 26 -0.855 -10.402 -6.221 1.00 1.08 C ATOM 370 CG LEU A 26 -0.850 -8.869 -6.174 1.00 1.91 C ATOM 371 CD1 LEU A 26 -1.541 -8.362 -4.924 1.00 2.89 C ATOM 372 CD2 LEU A 26 0.570 -8.331 -6.251 1.00 2.33 C ATOM 0 H LEU A 26 -0.269 -12.725 -6.590 1.00 0.82 H new ATOM 0 HA LEU A 26 1.143 -10.608 -5.436 1.00 0.88 H new ATOM 0 HB2 LEU A 26 -0.699 -10.713 -7.254 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -1.846 -10.749 -5.930 1.00 1.08 H new ATOM 0 HG LEU A 26 -1.403 -8.506 -7.040 1.00 1.91 H new ATOM 0 HD11 LEU A 26 -1.524 -7.272 -4.915 1.00 2.89 H new ATOM 0 HD12 LEU A 26 -2.574 -8.709 -4.914 1.00 2.89 H new ATOM 0 HD13 LEU A 26 -1.023 -8.740 -4.043 1.00 2.89 H new ATOM 0 HD21 LEU A 26 0.549 -7.242 -6.216 1.00 2.33 H new ATOM 0 HD22 LEU A 26 1.149 -8.710 -5.409 1.00 2.33 H new ATOM 0 HD23 LEU A 26 1.032 -8.655 -7.184 1.00 2.33 H new ATOM 384 N ASP A 27 -1.130 -11.892 -3.429 1.00 0.81 N ATOM 385 CA ASP A 27 -1.556 -11.907 -2.028 1.00 0.84 C ATOM 386 C ASP A 27 -0.489 -12.542 -1.146 1.00 0.70 C ATOM 387 O ASP A 27 -0.257 -12.101 -0.020 1.00 0.67 O ATOM 388 CB ASP A 27 -2.886 -12.649 -1.862 1.00 1.02 C ATOM 389 CG ASP A 27 -2.817 -14.099 -2.296 1.00 1.52 C ATOM 390 OD1 ASP A 27 -2.916 -14.357 -3.515 1.00 2.00 O ATOM 391 OD2 ASP A 27 -2.687 -14.982 -1.423 1.00 2.28 O ATOM 0 H ASP A 27 -1.607 -12.569 -4.025 1.00 0.81 H new ATOM 0 HA ASP A 27 -1.699 -10.873 -1.715 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -3.193 -12.603 -0.817 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -3.655 -12.139 -2.442 1.00 1.02 H new ATOM 396 N TYR A 28 0.179 -13.557 -1.674 1.00 0.69 N ATOM 397 CA TYR A 28 1.245 -14.224 -0.945 1.00 0.70 C ATOM 398 C TYR A 28 2.400 -13.260 -0.701 1.00 0.63 C ATOM 399 O TYR A 28 3.058 -13.315 0.338 1.00 0.68 O ATOM 400 CB TYR A 28 1.727 -15.461 -1.706 1.00 0.81 C ATOM 401 CG TYR A 28 0.649 -16.501 -1.910 1.00 1.05 C ATOM 402 CD1 TYR A 28 0.327 -17.403 -0.904 1.00 1.16 C ATOM 403 CD2 TYR A 28 -0.036 -16.590 -3.114 1.00 1.57 C ATOM 404 CE1 TYR A 28 -0.650 -18.360 -1.091 1.00 1.61 C ATOM 405 CE2 TYR A 28 -1.017 -17.541 -3.306 1.00 2.15 C ATOM 406 CZ TYR A 28 -1.348 -18.397 -2.276 1.00 2.13 C ATOM 407 OH TYR A 28 -2.284 -19.386 -2.490 1.00 2.73 O ATOM 0 H TYR A 28 0.001 -13.936 -2.604 1.00 0.69 H new ATOM 0 HA TYR A 28 0.855 -14.549 0.019 1.00 0.70 H new ATOM 0 HB2 TYR A 28 2.112 -15.153 -2.678 1.00 0.81 H new ATOM 0 HB3 TYR A 28 2.557 -15.912 -1.162 1.00 0.81 H new ATOM 0 HD1 TYR A 28 0.850 -17.355 0.040 1.00 1.16 H new ATOM 0 HD2 TYR A 28 0.203 -15.904 -3.913 1.00 1.57 H new ATOM 0 HE1 TYR A 28 -0.865 -19.076 -0.311 1.00 1.61 H new ATOM 0 HE2 TYR A 28 -1.523 -17.615 -4.257 1.00 2.15 H new ATOM 0 HH TYR A 28 -2.687 -19.269 -3.375 1.00 2.73 H new ATOM 417 N SER A 29 2.632 -12.362 -1.655 1.00 0.59 N ATOM 418 CA SER A 29 3.655 -11.346 -1.491 1.00 0.62 C ATOM 419 C SER A 29 3.172 -10.251 -0.550 1.00 0.51 C ATOM 420 O SER A 29 3.978 -9.607 0.100 1.00 0.53 O ATOM 421 CB SER A 29 4.040 -10.711 -2.824 1.00 0.73 C ATOM 422 OG SER A 29 4.044 -11.656 -3.877 1.00 0.81 O ATOM 0 H SER A 29 2.128 -12.321 -2.541 1.00 0.59 H new ATOM 0 HA SER A 29 4.531 -11.841 -1.072 1.00 0.62 H new ATOM 0 HB2 SER A 29 3.341 -9.908 -3.059 1.00 0.73 H new ATOM 0 HB3 SER A 29 5.028 -10.258 -2.739 1.00 0.73 H new ATOM 0 HG SER A 29 4.170 -12.555 -3.509 1.00 0.81 H new ATOM 428 N ARG A 30 1.859 -10.030 -0.486 1.00 0.48 N ATOM 429 CA ARG A 30 1.306 -9.018 0.417 1.00 0.45 C ATOM 430 C ARG A 30 1.720 -9.332 1.849 1.00 0.46 C ATOM 431 O ARG A 30 2.345 -8.515 2.509 1.00 0.56 O ATOM 432 CB ARG A 30 -0.230 -8.950 0.305 1.00 0.52 C ATOM 433 CG ARG A 30 -0.792 -7.758 -0.486 1.00 0.49 C ATOM 434 CD ARG A 30 -0.059 -7.524 -1.799 1.00 0.76 C ATOM 435 NE ARG A 30 1.252 -6.895 -1.612 1.00 1.55 N ATOM 436 CZ ARG A 30 2.318 -7.157 -2.370 1.00 2.24 C ATOM 437 NH1 ARG A 30 2.246 -8.070 -3.335 1.00 2.43 N ATOM 438 NH2 ARG A 30 3.464 -6.524 -2.145 1.00 3.24 N ATOM 0 H ARG A 30 1.165 -10.531 -1.041 1.00 0.48 H new ATOM 0 HA ARG A 30 1.702 -8.044 0.130 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -0.582 -9.870 -0.162 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -0.648 -8.923 1.311 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -1.849 -7.929 -0.691 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -0.728 -6.859 0.126 1.00 0.49 H new ATOM 0 HD2 ARG A 30 0.070 -8.477 -2.313 1.00 0.76 H new ATOM 0 HD3 ARG A 30 -0.671 -6.894 -2.444 1.00 0.76 H new ATOM 0 HE ARG A 30 1.355 -6.217 -0.857 1.00 1.55 H new ATOM 0 HH11 ARG A 30 1.373 -8.573 -3.497 1.00 2.43 H new ATOM 0 HH12 ARG A 30 3.063 -8.267 -3.912 1.00 2.43 H new ATOM 0 HH21 ARG A 30 3.529 -5.838 -1.393 1.00 3.24 H new ATOM 0 HH22 ARG A 30 4.279 -6.724 -2.724 1.00 3.24 H new ATOM 452 N ARG A 31 1.438 -10.548 2.287 1.00 0.45 N ATOM 453 CA ARG A 31 1.765 -10.966 3.650 1.00 0.47 C ATOM 454 C ARG A 31 3.284 -11.000 3.859 1.00 0.45 C ATOM 455 O ARG A 31 3.778 -10.797 4.966 1.00 0.50 O ATOM 456 CB ARG A 31 1.148 -12.338 3.931 1.00 0.53 C ATOM 457 CG ARG A 31 1.377 -12.846 5.346 1.00 1.14 C ATOM 458 CD ARG A 31 0.702 -14.190 5.563 1.00 1.21 C ATOM 459 NE ARG A 31 1.176 -15.199 4.616 1.00 1.89 N ATOM 460 CZ ARG A 31 0.434 -16.217 4.176 1.00 2.16 C ATOM 461 NH1 ARG A 31 -0.823 -16.353 4.578 1.00 1.87 N ATOM 462 NH2 ARG A 31 0.943 -17.099 3.324 1.00 3.18 N ATOM 0 H ARG A 31 0.984 -11.266 1.723 1.00 0.45 H new ATOM 0 HA ARG A 31 1.349 -10.242 4.350 1.00 0.47 H new ATOM 0 HB2 ARG A 31 0.075 -12.287 3.744 1.00 0.53 H new ATOM 0 HB3 ARG A 31 1.560 -13.060 3.226 1.00 0.53 H new ATOM 0 HG2 ARG A 31 2.447 -12.939 5.533 1.00 1.14 H new ATOM 0 HG3 ARG A 31 0.990 -12.122 6.062 1.00 1.14 H new ATOM 0 HD2 ARG A 31 0.891 -14.531 6.581 1.00 1.21 H new ATOM 0 HD3 ARG A 31 -0.377 -14.075 5.461 1.00 1.21 H new ATOM 0 HE ARG A 31 2.133 -15.120 4.271 1.00 1.89 H new ATOM 0 HH11 ARG A 31 -1.227 -15.677 5.227 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -1.385 -17.133 4.238 1.00 1.87 H new ATOM 0 HH21 ARG A 31 1.906 -17.000 3.002 1.00 3.18 H new ATOM 0 HH22 ARG A 31 0.371 -17.875 2.991 1.00 3.18 H new ATOM 476 N PHE A 32 4.015 -11.234 2.777 1.00 0.45 N ATOM 477 CA PHE A 32 5.476 -11.257 2.812 1.00 0.53 C ATOM 478 C PHE A 32 6.038 -9.829 2.833 1.00 0.53 C ATOM 479 O PHE A 32 7.122 -9.574 3.362 1.00 0.57 O ATOM 480 CB PHE A 32 5.984 -12.050 1.597 1.00 0.66 C ATOM 481 CG PHE A 32 7.415 -11.789 1.214 1.00 0.57 C ATOM 482 CD1 PHE A 32 8.462 -12.227 2.007 1.00 0.66 C ATOM 483 CD2 PHE A 32 7.704 -11.109 0.044 1.00 0.88 C ATOM 484 CE1 PHE A 32 9.772 -11.987 1.639 1.00 0.93 C ATOM 485 CE2 PHE A 32 9.007 -10.865 -0.330 1.00 1.10 C ATOM 486 CZ PHE A 32 10.045 -11.305 0.468 1.00 1.08 C ATOM 0 H PHE A 32 3.618 -11.412 1.855 1.00 0.45 H new ATOM 0 HA PHE A 32 5.821 -11.747 3.723 1.00 0.53 H new ATOM 0 HB2 PHE A 32 5.868 -13.114 1.804 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.348 -11.820 0.742 1.00 0.66 H new ATOM 0 HD1 PHE A 32 8.253 -12.761 2.922 1.00 0.66 H new ATOM 0 HD2 PHE A 32 6.896 -10.765 -0.585 1.00 0.88 H new ATOM 0 HE1 PHE A 32 10.581 -12.332 2.265 1.00 0.93 H new ATOM 0 HE2 PHE A 32 9.217 -10.331 -1.245 1.00 1.10 H new ATOM 0 HZ PHE A 32 11.068 -11.117 0.178 1.00 1.08 H new ATOM 496 N LEU A 33 5.274 -8.905 2.274 1.00 0.51 N ATOM 497 CA LEU A 33 5.639 -7.494 2.219 1.00 0.53 C ATOM 498 C LEU A 33 5.191 -6.761 3.479 1.00 0.45 C ATOM 499 O LEU A 33 5.537 -5.599 3.687 1.00 0.44 O ATOM 500 CB LEU A 33 5.035 -6.835 0.974 1.00 0.60 C ATOM 501 CG LEU A 33 5.993 -6.662 -0.211 1.00 0.93 C ATOM 502 CD1 LEU A 33 7.173 -5.788 0.172 1.00 0.92 C ATOM 503 CD2 LEU A 33 6.479 -8.009 -0.721 1.00 1.70 C ATOM 0 H LEU A 33 4.374 -9.112 1.841 1.00 0.51 H new ATOM 0 HA LEU A 33 6.725 -7.428 2.159 1.00 0.53 H new ATOM 0 HB2 LEU A 33 4.183 -7.430 0.646 1.00 0.60 H new ATOM 0 HB3 LEU A 33 4.650 -5.854 1.254 1.00 0.60 H new ATOM 0 HG LEU A 33 5.443 -6.170 -1.013 1.00 0.93 H new ATOM 0 HD11 LEU A 33 7.839 -5.680 -0.684 1.00 0.92 H new ATOM 0 HD12 LEU A 33 6.814 -4.806 0.479 1.00 0.92 H new ATOM 0 HD13 LEU A 33 7.715 -6.250 0.997 1.00 0.92 H new ATOM 0 HD21 LEU A 33 7.157 -7.857 -1.561 1.00 1.70 H new ATOM 0 HD22 LEU A 33 7.003 -8.533 0.078 1.00 1.70 H new ATOM 0 HD23 LEU A 33 5.626 -8.604 -1.046 1.00 1.70 H new ATOM 515 N GLU A 34 4.413 -7.454 4.304 1.00 0.39 N ATOM 516 CA GLU A 34 3.811 -6.866 5.501 1.00 0.35 C ATOM 517 C GLU A 34 4.856 -6.159 6.385 1.00 0.35 C ATOM 518 O GLU A 34 4.680 -4.987 6.721 1.00 0.30 O ATOM 519 CB GLU A 34 3.074 -7.942 6.305 1.00 0.39 C ATOM 520 CG GLU A 34 2.429 -7.427 7.581 1.00 0.43 C ATOM 521 CD GLU A 34 1.857 -8.544 8.426 1.00 0.78 C ATOM 522 OE1 GLU A 34 2.614 -9.147 9.215 1.00 1.26 O ATOM 523 OE2 GLU A 34 0.646 -8.827 8.305 1.00 1.17 O ATOM 0 H GLU A 34 4.181 -8.437 4.164 1.00 0.39 H new ATOM 0 HA GLU A 34 3.098 -6.110 5.172 1.00 0.35 H new ATOM 0 HB2 GLU A 34 2.304 -8.388 5.675 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.776 -8.736 6.560 1.00 0.39 H new ATOM 0 HG2 GLU A 34 3.168 -6.876 8.163 1.00 0.43 H new ATOM 0 HG3 GLU A 34 1.636 -6.724 7.327 1.00 0.43 H new ATOM 530 N PRO A 35 5.965 -6.841 6.772 1.00 0.43 N ATOM 531 CA PRO A 35 7.006 -6.229 7.614 1.00 0.48 C ATOM 532 C PRO A 35 7.747 -5.091 6.912 1.00 0.45 C ATOM 533 O PRO A 35 8.346 -4.237 7.562 1.00 0.47 O ATOM 534 CB PRO A 35 7.967 -7.387 7.908 1.00 0.63 C ATOM 535 CG PRO A 35 7.747 -8.355 6.801 1.00 0.79 C ATOM 536 CD PRO A 35 6.293 -8.247 6.447 1.00 0.50 C ATOM 0 HA PRO A 35 6.576 -5.775 8.507 1.00 0.48 H new ATOM 0 HB2 PRO A 35 9.002 -7.045 7.934 1.00 0.63 H new ATOM 0 HB3 PRO A 35 7.756 -7.840 8.877 1.00 0.63 H new ATOM 0 HG2 PRO A 35 8.377 -8.118 5.944 1.00 0.79 H new ATOM 0 HG3 PRO A 35 8.000 -9.369 7.112 1.00 0.79 H new ATOM 0 HD2 PRO A 35 6.118 -8.467 5.394 1.00 0.50 H new ATOM 0 HD3 PRO A 35 5.686 -8.945 7.024 1.00 0.50 H new ATOM 544 N PHE A 36 7.703 -5.084 5.585 1.00 0.44 N ATOM 545 CA PHE A 36 8.391 -4.063 4.804 1.00 0.49 C ATOM 546 C PHE A 36 7.533 -2.808 4.698 1.00 0.39 C ATOM 547 O PHE A 36 8.042 -1.689 4.713 1.00 0.43 O ATOM 548 CB PHE A 36 8.735 -4.603 3.411 1.00 0.62 C ATOM 549 CG PHE A 36 9.537 -3.654 2.564 1.00 0.66 C ATOM 550 CD1 PHE A 36 10.854 -3.363 2.880 1.00 0.79 C ATOM 551 CD2 PHE A 36 8.973 -3.052 1.449 1.00 1.36 C ATOM 552 CE1 PHE A 36 11.590 -2.486 2.106 1.00 1.21 C ATOM 553 CE2 PHE A 36 9.704 -2.175 0.673 1.00 2.02 C ATOM 554 CZ PHE A 36 11.023 -1.904 0.996 1.00 1.87 C ATOM 0 H PHE A 36 7.199 -5.773 5.028 1.00 0.44 H new ATOM 0 HA PHE A 36 9.320 -3.801 5.311 1.00 0.49 H new ATOM 0 HB2 PHE A 36 9.292 -5.533 3.521 1.00 0.62 H new ATOM 0 HB3 PHE A 36 7.810 -4.846 2.889 1.00 0.62 H new ATOM 0 HD1 PHE A 36 11.311 -3.827 3.742 1.00 0.79 H new ATOM 0 HD2 PHE A 36 7.949 -3.272 1.185 1.00 1.36 H new ATOM 0 HE1 PHE A 36 12.611 -2.257 2.373 1.00 1.21 H new ATOM 0 HE2 PHE A 36 9.248 -1.701 -0.184 1.00 2.02 H new ATOM 0 HZ PHE A 36 11.605 -1.237 0.378 1.00 1.87 H new ATOM 564 N LEU A 37 6.229 -3.010 4.598 1.00 0.30 N ATOM 565 CA LEU A 37 5.279 -1.907 4.513 1.00 0.29 C ATOM 566 C LEU A 37 5.009 -1.339 5.896 1.00 0.24 C ATOM 567 O LEU A 37 4.606 -0.189 6.042 1.00 0.27 O ATOM 568 CB LEU A 37 3.975 -2.391 3.873 1.00 0.31 C ATOM 569 CG LEU A 37 3.943 -2.439 2.336 1.00 0.57 C ATOM 570 CD1 LEU A 37 5.320 -2.709 1.744 1.00 0.90 C ATOM 571 CD2 LEU A 37 2.976 -3.515 1.885 1.00 1.18 C ATOM 0 H LEU A 37 5.799 -3.935 4.573 1.00 0.30 H new ATOM 0 HA LEU A 37 5.705 -1.119 3.892 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.760 -3.391 4.250 1.00 0.31 H new ATOM 0 HB3 LEU A 37 3.167 -1.742 4.211 1.00 0.31 H new ATOM 0 HG LEU A 37 3.616 -1.462 1.979 1.00 0.57 H new ATOM 0 HD11 LEU A 37 5.250 -2.734 0.657 1.00 0.90 H new ATOM 0 HD12 LEU A 37 6.007 -1.918 2.045 1.00 0.90 H new ATOM 0 HD13 LEU A 37 5.690 -3.668 2.106 1.00 0.90 H new ATOM 0 HD21 LEU A 37 2.953 -3.550 0.796 1.00 1.18 H new ATOM 0 HD22 LEU A 37 3.300 -4.481 2.272 1.00 1.18 H new ATOM 0 HD23 LEU A 37 1.979 -3.289 2.262 1.00 1.18 H new ATOM 583 N ARG A 38 5.209 -2.177 6.901 1.00 0.24 N ATOM 584 CA ARG A 38 5.083 -1.790 8.300 1.00 0.31 C ATOM 585 C ARG A 38 5.969 -0.585 8.636 1.00 0.30 C ATOM 586 O ARG A 38 7.150 -0.733 8.954 1.00 0.41 O ATOM 587 CB ARG A 38 5.459 -3.003 9.153 1.00 0.44 C ATOM 588 CG ARG A 38 5.373 -2.809 10.657 1.00 0.82 C ATOM 589 CD ARG A 38 5.676 -4.121 11.361 1.00 1.06 C ATOM 590 NE ARG A 38 5.737 -3.994 12.812 1.00 2.16 N ATOM 591 CZ ARG A 38 6.026 -5.007 13.622 1.00 2.73 C ATOM 592 NH1 ARG A 38 6.215 -6.223 13.123 1.00 2.36 N ATOM 593 NH2 ARG A 38 6.103 -4.803 14.930 1.00 3.90 N ATOM 0 H ARG A 38 5.466 -3.155 6.769 1.00 0.24 H new ATOM 0 HA ARG A 38 4.058 -1.483 8.507 1.00 0.31 H new ATOM 0 HB2 ARG A 38 4.810 -3.833 8.876 1.00 0.44 H new ATOM 0 HB3 ARG A 38 6.478 -3.298 8.902 1.00 0.44 H new ATOM 0 HG2 ARG A 38 6.080 -2.043 10.975 1.00 0.82 H new ATOM 0 HG3 ARG A 38 4.378 -2.459 10.932 1.00 0.82 H new ATOM 0 HD2 ARG A 38 4.911 -4.852 11.099 1.00 1.06 H new ATOM 0 HD3 ARG A 38 6.627 -4.510 10.997 1.00 1.06 H new ATOM 0 HE ARG A 38 5.548 -3.081 13.226 1.00 2.16 H new ATOM 0 HH11 ARG A 38 6.138 -6.379 12.118 1.00 2.36 H new ATOM 0 HH12 ARG A 38 6.437 -7.001 13.745 1.00 2.36 H new ATOM 0 HH21 ARG A 38 5.941 -3.871 15.311 1.00 3.90 H new ATOM 0 HH22 ARG A 38 6.325 -5.578 15.555 1.00 3.90 H new ATOM 607 N GLY A 39 5.387 0.607 8.556 1.00 0.28 N ATOM 608 CA GLY A 39 6.105 1.818 8.894 1.00 0.31 C ATOM 609 C GLY A 39 6.527 2.622 7.674 1.00 0.28 C ATOM 610 O GLY A 39 7.625 3.185 7.646 1.00 0.35 O ATOM 0 H GLY A 39 4.422 0.754 8.260 1.00 0.28 H new ATOM 0 HA2 GLY A 39 5.477 2.440 9.532 1.00 0.31 H new ATOM 0 HA3 GLY A 39 6.990 1.558 9.475 1.00 0.31 H new ATOM 614 N ILE A 40 5.659 2.694 6.669 1.00 0.24 N ATOM 615 CA ILE A 40 5.962 3.466 5.455 1.00 0.22 C ATOM 616 C ILE A 40 4.894 4.526 5.212 1.00 0.21 C ATOM 617 O ILE A 40 3.920 4.609 5.952 1.00 0.21 O ATOM 618 CB ILE A 40 6.086 2.582 4.186 1.00 0.21 C ATOM 619 CG1 ILE A 40 4.750 1.914 3.850 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.185 1.542 4.363 1.00 0.21 C ATOM 621 CD1 ILE A 40 4.751 1.164 2.532 1.00 0.19 C ATOM 0 H ILE A 40 4.748 2.235 6.664 1.00 0.24 H new ATOM 0 HA ILE A 40 6.930 3.934 5.633 1.00 0.22 H new ATOM 0 HB ILE A 40 6.357 3.225 3.349 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.490 1.221 4.650 1.00 0.18 H new ATOM 0 HG13 ILE A 40 3.971 2.676 3.822 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.257 0.932 3.463 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.136 2.044 4.538 1.00 0.21 H new ATOM 0 HG23 ILE A 40 6.949 0.905 5.215 1.00 0.21 H new ATOM 0 HD11 ILE A 40 3.770 0.719 2.366 1.00 0.19 H new ATOM 0 HD12 ILE A 40 4.978 1.855 1.720 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.505 0.378 2.561 1.00 0.19 H new ATOM 633 N ASN A 41 5.085 5.352 4.191 1.00 0.21 N ATOM 634 CA ASN A 41 4.058 6.307 3.794 1.00 0.20 C ATOM 635 C ASN A 41 3.792 6.170 2.301 1.00 0.16 C ATOM 636 O ASN A 41 4.723 6.033 1.502 1.00 0.18 O ATOM 637 CB ASN A 41 4.453 7.755 4.153 1.00 0.29 C ATOM 638 CG ASN A 41 5.304 8.443 3.096 1.00 0.99 C ATOM 639 OD1 ASN A 41 4.783 9.068 2.170 1.00 2.00 O ATOM 640 ND2 ASN A 41 6.617 8.368 3.239 1.00 1.23 N ATOM 0 H ASN A 41 5.934 5.380 3.627 1.00 0.21 H new ATOM 0 HA ASN A 41 3.145 6.083 4.346 1.00 0.20 H new ATOM 0 HB2 ASN A 41 3.547 8.339 4.312 1.00 0.29 H new ATOM 0 HB3 ASN A 41 4.998 7.749 5.097 1.00 0.29 H new ATOM 0 HD21 ASN A 41 7.230 8.836 2.572 1.00 1.23 H new ATOM 0 HD22 ASN A 41 7.016 7.842 4.017 1.00 1.23 H new ATOM 647 N VAL A 42 2.523 6.173 1.933 1.00 0.13 N ATOM 648 CA VAL A 42 2.126 6.025 0.540 1.00 0.14 C ATOM 649 C VAL A 42 1.085 7.069 0.167 1.00 0.15 C ATOM 650 O VAL A 42 0.267 7.470 0.993 1.00 0.18 O ATOM 651 CB VAL A 42 1.551 4.619 0.250 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.637 3.559 0.349 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.400 4.298 1.193 1.00 0.19 C ATOM 0 H VAL A 42 1.744 6.277 2.583 1.00 0.13 H new ATOM 0 HA VAL A 42 3.025 6.164 -0.061 1.00 0.14 H new ATOM 0 HB VAL A 42 1.165 4.618 -0.770 1.00 0.16 H new ATOM 0 HG11 VAL A 42 2.209 2.579 0.141 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.422 3.773 -0.376 1.00 0.17 H new ATOM 0 HG13 VAL A 42 3.060 3.564 1.353 1.00 0.17 H new ATOM 0 HG21 VAL A 42 0.013 3.304 0.969 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.755 4.325 2.223 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.393 5.034 1.063 1.00 0.19 H new ATOM 663 N VAL A 43 1.126 7.508 -1.073 1.00 0.18 N ATOM 664 CA VAL A 43 0.157 8.455 -1.578 1.00 0.22 C ATOM 665 C VAL A 43 -1.027 7.700 -2.154 1.00 0.20 C ATOM 666 O VAL A 43 -0.916 7.045 -3.189 1.00 0.20 O ATOM 667 CB VAL A 43 0.759 9.362 -2.673 1.00 0.28 C ATOM 668 CG1 VAL A 43 -0.225 10.451 -3.077 1.00 0.88 C ATOM 669 CG2 VAL A 43 2.073 9.969 -2.206 1.00 0.75 C ATOM 0 H VAL A 43 1.828 7.220 -1.755 1.00 0.18 H new ATOM 0 HA VAL A 43 -0.157 9.089 -0.749 1.00 0.22 H new ATOM 0 HB VAL A 43 0.960 8.747 -3.550 1.00 0.28 H new ATOM 0 HG11 VAL A 43 0.222 11.077 -3.849 1.00 0.88 H new ATOM 0 HG12 VAL A 43 -1.136 9.993 -3.463 1.00 0.88 H new ATOM 0 HG13 VAL A 43 -0.467 11.064 -2.208 1.00 0.88 H new ATOM 0 HG21 VAL A 43 2.480 10.604 -2.992 1.00 0.75 H new ATOM 0 HG22 VAL A 43 1.900 10.566 -1.310 1.00 0.75 H new ATOM 0 HG23 VAL A 43 2.782 9.172 -1.980 1.00 0.75 H new ATOM 679 N TYR A 44 -2.151 7.783 -1.472 1.00 0.21 N ATOM 680 CA TYR A 44 -3.360 7.124 -1.918 1.00 0.22 C ATOM 681 C TYR A 44 -4.135 8.051 -2.839 1.00 0.22 C ATOM 682 O TYR A 44 -4.688 9.063 -2.399 1.00 0.24 O ATOM 683 CB TYR A 44 -4.221 6.714 -0.715 1.00 0.27 C ATOM 684 CG TYR A 44 -5.621 6.260 -1.076 1.00 0.32 C ATOM 685 CD1 TYR A 44 -5.822 5.106 -1.824 1.00 0.39 C ATOM 686 CD2 TYR A 44 -6.738 6.981 -0.671 1.00 0.42 C ATOM 687 CE1 TYR A 44 -7.094 4.685 -2.158 1.00 0.47 C ATOM 688 CE2 TYR A 44 -8.016 6.563 -1.001 1.00 0.50 C ATOM 689 CZ TYR A 44 -8.197 5.440 -1.736 1.00 0.50 C ATOM 690 OH TYR A 44 -9.456 4.988 -2.070 1.00 0.59 O ATOM 0 H TYR A 44 -2.252 8.304 -0.601 1.00 0.21 H new ATOM 0 HA TYR A 44 -3.093 6.221 -2.467 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -3.717 5.909 -0.180 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -4.291 7.558 -0.029 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -4.969 4.529 -2.149 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.607 7.882 -0.090 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -7.237 3.785 -2.737 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -8.871 7.134 -0.671 1.00 0.50 H new ATOM 0 HH TYR A 44 -10.130 5.604 -1.714 1.00 0.59 H new ATOM 700 N THR A 45 -4.143 7.723 -4.120 1.00 0.24 N ATOM 701 CA THR A 45 -4.882 8.499 -5.090 1.00 0.28 C ATOM 702 C THR A 45 -6.271 7.897 -5.270 1.00 0.28 C ATOM 703 O THR A 45 -6.430 6.845 -5.893 1.00 0.30 O ATOM 704 CB THR A 45 -4.147 8.538 -6.446 1.00 0.36 C ATOM 705 OG1 THR A 45 -2.785 8.953 -6.254 1.00 1.08 O ATOM 706 CG2 THR A 45 -4.838 9.488 -7.414 1.00 1.10 C ATOM 0 H THR A 45 -3.644 6.923 -4.509 1.00 0.24 H new ATOM 0 HA THR A 45 -4.968 9.522 -4.722 1.00 0.28 H new ATOM 0 HB THR A 45 -4.167 7.535 -6.872 1.00 0.36 H new ATOM 0 HG1 THR A 45 -2.324 8.974 -7.119 1.00 1.08 H new ATOM 0 HG21 THR A 45 -4.300 9.497 -8.362 1.00 1.10 H new ATOM 0 HG22 THR A 45 -5.862 9.155 -7.581 1.00 1.10 H new ATOM 0 HG23 THR A 45 -4.847 10.493 -6.993 1.00 1.10 H new ATOM 714 N PRO A 46 -7.291 8.554 -4.710 1.00 0.31 N ATOM 715 CA PRO A 46 -8.664 8.076 -4.751 1.00 0.35 C ATOM 716 C PRO A 46 -9.352 8.422 -6.062 1.00 0.38 C ATOM 717 O PRO A 46 -9.204 9.535 -6.581 1.00 0.38 O ATOM 718 CB PRO A 46 -9.339 8.818 -3.584 1.00 0.40 C ATOM 719 CG PRO A 46 -8.268 9.642 -2.942 1.00 0.47 C ATOM 720 CD PRO A 46 -7.199 9.811 -3.975 1.00 0.37 C ATOM 0 HA PRO A 46 -8.719 6.990 -4.672 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.154 9.448 -3.942 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -9.769 8.114 -2.871 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -8.658 10.609 -2.623 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -7.876 9.148 -2.053 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -7.383 10.673 -4.616 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.216 9.951 -3.526 1.00 0.37 H new ATOM 728 N PRO A 47 -10.090 7.458 -6.633 1.00 0.45 N ATOM 729 CA PRO A 47 -10.939 7.708 -7.793 1.00 0.56 C ATOM 730 C PRO A 47 -11.930 8.830 -7.501 1.00 0.59 C ATOM 731 O PRO A 47 -12.386 8.993 -6.368 1.00 0.56 O ATOM 732 CB PRO A 47 -11.663 6.374 -8.007 1.00 0.62 C ATOM 733 CG PRO A 47 -10.792 5.356 -7.358 1.00 0.55 C ATOM 734 CD PRO A 47 -10.139 6.052 -6.198 1.00 0.49 C ATOM 0 HA PRO A 47 -10.378 8.026 -8.672 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -12.656 6.387 -7.559 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -11.795 6.162 -9.068 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.376 4.500 -7.021 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -10.046 4.978 -8.057 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -10.716 5.934 -5.281 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -9.143 5.657 -6.000 1.00 0.49 H new ATOM 742 N GLN A 48 -12.255 9.600 -8.532 1.00 0.70 N ATOM 743 CA GLN A 48 -13.053 10.816 -8.387 1.00 0.79 C ATOM 744 C GLN A 48 -14.457 10.527 -7.855 1.00 0.77 C ATOM 745 O GLN A 48 -15.159 11.432 -7.409 1.00 0.83 O ATOM 746 CB GLN A 48 -13.126 11.536 -9.732 1.00 0.96 C ATOM 747 CG GLN A 48 -11.763 11.969 -10.250 1.00 1.50 C ATOM 748 CD GLN A 48 -11.809 12.480 -11.675 1.00 1.79 C ATOM 749 OE1 GLN A 48 -11.660 11.711 -12.627 1.00 2.22 O ATOM 750 NE2 GLN A 48 -12.008 13.779 -11.836 1.00 2.18 N ATOM 0 H GLN A 48 -11.974 9.401 -9.492 1.00 0.70 H new ATOM 0 HA GLN A 48 -12.564 11.455 -7.652 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -13.595 10.879 -10.464 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -13.766 12.413 -9.634 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -11.365 12.750 -9.602 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -11.074 11.126 -10.194 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -12.127 14.382 -11.022 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -12.043 14.177 -12.774 1.00 2.18 H new ATOM 759 N SER A 49 -14.849 9.261 -7.881 1.00 0.72 N ATOM 760 CA SER A 49 -16.139 8.846 -7.354 1.00 0.74 C ATOM 761 C SER A 49 -16.132 8.816 -5.823 1.00 0.71 C ATOM 762 O SER A 49 -17.178 8.672 -5.189 1.00 0.78 O ATOM 763 CB SER A 49 -16.504 7.476 -7.922 1.00 0.77 C ATOM 764 OG SER A 49 -15.386 6.601 -7.906 1.00 1.75 O ATOM 0 H SER A 49 -14.288 8.500 -8.264 1.00 0.72 H new ATOM 0 HA SER A 49 -16.891 9.573 -7.660 1.00 0.74 H new ATOM 0 HB2 SER A 49 -17.317 7.043 -7.340 1.00 0.77 H new ATOM 0 HB3 SER A 49 -16.868 7.588 -8.943 1.00 0.77 H new ATOM 0 HG SER A 49 -15.575 5.840 -7.318 1.00 1.75 H new ATOM 770 N PHE A 50 -14.948 8.952 -5.232 1.00 0.65 N ATOM 771 CA PHE A 50 -14.810 8.980 -3.780 1.00 0.64 C ATOM 772 C PHE A 50 -14.881 10.405 -3.243 1.00 0.71 C ATOM 773 O PHE A 50 -15.172 10.622 -2.065 1.00 0.77 O ATOM 774 CB PHE A 50 -13.488 8.338 -3.345 1.00 0.57 C ATOM 775 CG PHE A 50 -13.470 6.840 -3.439 1.00 0.53 C ATOM 776 CD1 PHE A 50 -13.406 6.204 -4.668 1.00 0.60 C ATOM 777 CD2 PHE A 50 -13.510 6.068 -2.290 1.00 0.59 C ATOM 778 CE1 PHE A 50 -13.384 4.826 -4.747 1.00 0.68 C ATOM 779 CE2 PHE A 50 -13.487 4.691 -2.363 1.00 0.66 C ATOM 780 CZ PHE A 50 -13.424 4.069 -3.593 1.00 0.68 C ATOM 0 H PHE A 50 -14.068 9.045 -5.739 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.641 8.408 -3.366 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.683 8.739 -3.961 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -13.277 8.629 -2.316 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -13.373 6.792 -5.573 1.00 0.60 H new ATOM 0 HD2 PHE A 50 -13.560 6.550 -1.325 1.00 0.59 H new ATOM 0 HE1 PHE A 50 -13.336 4.341 -5.711 1.00 0.68 H new ATOM 0 HE2 PHE A 50 -13.518 4.101 -1.459 1.00 0.66 H new ATOM 0 HZ PHE A 50 -13.406 2.991 -3.653 1.00 0.68 H new ATOM 790 N GLN A 51 -14.590 11.369 -4.122 1.00 0.72 N ATOM 791 CA GLN A 51 -14.582 12.782 -3.776 1.00 0.79 C ATOM 792 C GLN A 51 -13.475 13.074 -2.765 1.00 0.66 C ATOM 793 O GLN A 51 -13.616 13.920 -1.882 1.00 0.83 O ATOM 794 CB GLN A 51 -15.944 13.229 -3.243 1.00 1.07 C ATOM 795 CG GLN A 51 -16.144 14.725 -3.341 1.00 1.23 C ATOM 796 CD GLN A 51 -17.516 15.176 -2.882 1.00 1.98 C ATOM 797 OE1 GLN A 51 -17.726 15.464 -1.703 1.00 2.73 O ATOM 798 NE2 GLN A 51 -18.457 15.246 -3.810 1.00 2.45 N ATOM 0 H GLN A 51 -14.353 11.184 -5.097 1.00 0.72 H new ATOM 0 HA GLN A 51 -14.381 13.354 -4.682 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -16.732 12.723 -3.801 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -16.042 12.920 -2.202 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -15.384 15.226 -2.741 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -15.993 15.038 -4.374 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -18.241 14.998 -4.775 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -19.399 15.548 -3.560 1.00 2.45 H new ATOM 807 N SER A 52 -12.367 12.362 -2.904 1.00 0.53 N ATOM 808 CA SER A 52 -11.229 12.539 -2.022 1.00 0.50 C ATOM 809 C SER A 52 -9.988 12.919 -2.829 1.00 0.42 C ATOM 810 O SER A 52 -9.777 12.420 -3.935 1.00 0.44 O ATOM 811 CB SER A 52 -10.971 11.253 -1.231 1.00 0.55 C ATOM 812 OG SER A 52 -12.134 10.835 -0.530 1.00 1.21 O ATOM 0 H SER A 52 -12.234 11.653 -3.625 1.00 0.53 H new ATOM 0 HA SER A 52 -11.450 13.345 -1.322 1.00 0.50 H new ATOM 0 HB2 SER A 52 -10.650 10.464 -1.911 1.00 0.55 H new ATOM 0 HB3 SER A 52 -10.157 11.415 -0.525 1.00 0.55 H new ATOM 0 HG SER A 52 -11.940 10.011 -0.036 1.00 1.21 H new ATOM 818 N ALA A 53 -9.187 13.817 -2.278 1.00 0.48 N ATOM 819 CA ALA A 53 -7.945 14.244 -2.912 1.00 0.52 C ATOM 820 C ALA A 53 -6.801 13.325 -2.498 1.00 0.41 C ATOM 821 O ALA A 53 -6.788 12.842 -1.366 1.00 0.44 O ATOM 822 CB ALA A 53 -7.637 15.686 -2.534 1.00 0.73 C ATOM 0 H ALA A 53 -9.376 14.270 -1.384 1.00 0.48 H new ATOM 0 HA ALA A 53 -8.060 14.185 -3.994 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -6.708 15.997 -3.012 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -8.450 16.331 -2.867 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.532 15.764 -1.452 1.00 0.73 H new ATOM 828 N PRO A 54 -5.857 13.043 -3.429 1.00 0.39 N ATOM 829 CA PRO A 54 -4.682 12.196 -3.167 1.00 0.32 C ATOM 830 C PRO A 54 -4.072 12.460 -1.795 1.00 0.29 C ATOM 831 O PRO A 54 -3.474 13.511 -1.553 1.00 0.36 O ATOM 832 CB PRO A 54 -3.717 12.599 -4.279 1.00 0.39 C ATOM 833 CG PRO A 54 -4.605 12.953 -5.422 1.00 0.52 C ATOM 834 CD PRO A 54 -5.858 13.543 -4.820 1.00 0.52 C ATOM 0 HA PRO A 54 -4.927 11.134 -3.160 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -3.096 13.444 -3.981 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -3.043 11.782 -4.537 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -4.118 13.668 -6.085 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -4.839 12.072 -6.020 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -5.841 14.632 -4.852 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.749 13.222 -5.359 1.00 0.52 H new ATOM 842 N ARG A 55 -4.232 11.493 -0.906 1.00 0.26 N ATOM 843 CA ARG A 55 -3.886 11.668 0.493 1.00 0.31 C ATOM 844 C ARG A 55 -2.731 10.745 0.868 1.00 0.24 C ATOM 845 O ARG A 55 -2.748 9.563 0.535 1.00 0.20 O ATOM 846 CB ARG A 55 -5.123 11.338 1.338 1.00 0.42 C ATOM 847 CG ARG A 55 -5.307 12.195 2.577 1.00 1.13 C ATOM 848 CD ARG A 55 -4.273 11.902 3.649 1.00 1.35 C ATOM 849 NE ARG A 55 -4.623 12.556 4.906 1.00 2.05 N ATOM 850 CZ ARG A 55 -3.815 12.654 5.960 1.00 2.41 C ATOM 851 NH1 ARG A 55 -2.590 12.137 5.922 1.00 2.30 N ATOM 852 NH2 ARG A 55 -4.237 13.278 7.054 1.00 3.34 N ATOM 0 H ARG A 55 -4.603 10.570 -1.133 1.00 0.26 H new ATOM 0 HA ARG A 55 -3.572 12.696 0.675 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -6.009 11.439 0.711 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -5.066 10.293 1.644 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -5.248 13.247 2.298 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -6.304 12.029 2.984 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -4.199 10.826 3.803 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -3.293 12.245 3.317 1.00 1.35 H new ATOM 0 HE ARG A 55 -5.553 12.967 4.983 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -2.263 11.661 5.081 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -1.977 12.217 6.734 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -5.175 13.678 7.083 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -3.623 13.357 7.865 1.00 3.34 H new ATOM 866 N VAL A 56 -1.737 11.275 1.563 1.00 0.26 N ATOM 867 CA VAL A 56 -0.626 10.455 2.023 1.00 0.24 C ATOM 868 C VAL A 56 -1.000 9.735 3.312 1.00 0.22 C ATOM 869 O VAL A 56 -1.338 10.363 4.314 1.00 0.25 O ATOM 870 CB VAL A 56 0.667 11.279 2.232 1.00 0.29 C ATOM 871 CG1 VAL A 56 1.212 11.756 0.898 1.00 1.48 C ATOM 872 CG2 VAL A 56 0.428 12.463 3.160 1.00 1.32 C ATOM 0 H VAL A 56 -1.676 12.260 1.820 1.00 0.26 H new ATOM 0 HA VAL A 56 -0.422 9.723 1.241 1.00 0.24 H new ATOM 0 HB VAL A 56 1.404 10.629 2.703 1.00 0.29 H new ATOM 0 HG11 VAL A 56 2.121 12.334 1.062 1.00 1.48 H new ATOM 0 HG12 VAL A 56 1.438 10.895 0.268 1.00 1.48 H new ATOM 0 HG13 VAL A 56 0.469 12.382 0.404 1.00 1.48 H new ATOM 0 HG21 VAL A 56 1.356 13.020 3.285 1.00 1.32 H new ATOM 0 HG22 VAL A 56 -0.332 13.115 2.729 1.00 1.32 H new ATOM 0 HG23 VAL A 56 0.088 12.102 4.131 1.00 1.32 H new ATOM 882 N TYR A 57 -0.991 8.418 3.268 1.00 0.22 N ATOM 883 CA TYR A 57 -1.323 7.619 4.431 1.00 0.25 C ATOM 884 C TYR A 57 -0.102 6.877 4.953 1.00 0.25 C ATOM 885 O TYR A 57 0.729 6.399 4.180 1.00 0.27 O ATOM 886 CB TYR A 57 -2.445 6.636 4.102 1.00 0.27 C ATOM 887 CG TYR A 57 -3.801 7.292 3.999 1.00 0.31 C ATOM 888 CD1 TYR A 57 -4.406 7.872 5.107 1.00 0.44 C ATOM 889 CD2 TYR A 57 -4.477 7.330 2.786 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.647 8.470 5.007 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.716 7.926 2.680 1.00 0.47 C ATOM 892 CZ TYR A 57 -6.295 8.505 3.832 1.00 0.46 C ATOM 893 OH TYR A 57 -7.533 9.087 3.683 1.00 0.54 O ATOM 0 H TYR A 57 -0.756 7.876 2.436 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.668 8.293 5.215 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -2.217 6.137 3.160 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -2.480 5.864 4.871 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -3.899 7.855 6.060 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -4.025 6.886 1.912 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -6.100 8.913 5.882 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -6.235 7.950 1.733 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.823 9.004 2.751 1.00 0.54 H new ATOM 903 N ARG A 58 -0.002 6.792 6.268 1.00 0.27 N ATOM 904 CA ARG A 58 1.107 6.116 6.912 1.00 0.31 C ATOM 905 C ARG A 58 0.714 4.679 7.227 1.00 0.27 C ATOM 906 O ARG A 58 -0.253 4.431 7.946 1.00 0.31 O ATOM 907 CB ARG A 58 1.511 6.882 8.178 1.00 0.42 C ATOM 908 CG ARG A 58 2.680 6.293 8.954 1.00 0.55 C ATOM 909 CD ARG A 58 2.198 5.316 10.013 1.00 1.11 C ATOM 910 NE ARG A 58 1.102 5.884 10.805 1.00 1.70 N ATOM 911 CZ ARG A 58 0.658 5.379 11.954 1.00 2.56 C ATOM 912 NH1 ARG A 58 1.254 4.331 12.503 1.00 3.09 N ATOM 913 NH2 ARG A 58 -0.382 5.940 12.560 1.00 3.26 N ATOM 0 H ARG A 58 -0.684 7.188 6.915 1.00 0.27 H new ATOM 0 HA ARG A 58 1.969 6.091 6.245 1.00 0.31 H new ATOM 0 HB2 ARG A 58 1.762 7.905 7.898 1.00 0.42 H new ATOM 0 HB3 ARG A 58 0.647 6.935 8.841 1.00 0.42 H new ATOM 0 HG2 ARG A 58 3.357 5.785 8.267 1.00 0.55 H new ATOM 0 HG3 ARG A 58 3.248 7.095 9.426 1.00 0.55 H new ATOM 0 HD2 ARG A 58 1.865 4.395 9.536 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.026 5.052 10.671 1.00 1.11 H new ATOM 0 HE ARG A 58 0.648 6.726 10.450 1.00 1.70 H new ATOM 0 HH11 ARG A 58 2.060 3.905 12.045 1.00 3.09 H new ATOM 0 HH12 ARG A 58 0.907 3.950 13.384 1.00 3.09 H new ATOM 0 HH21 ARG A 58 -0.836 6.753 12.145 1.00 3.26 H new ATOM 0 HH22 ARG A 58 -0.727 5.557 13.441 1.00 3.26 H new ATOM 927 N VAL A 59 1.462 3.744 6.670 1.00 0.25 N ATOM 928 CA VAL A 59 1.165 2.330 6.800 1.00 0.25 C ATOM 929 C VAL A 59 1.699 1.765 8.104 1.00 0.25 C ATOM 930 O VAL A 59 2.913 1.762 8.337 1.00 0.26 O ATOM 931 CB VAL A 59 1.775 1.521 5.641 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.465 0.043 5.789 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.279 2.034 4.307 1.00 0.36 C ATOM 0 H VAL A 59 2.293 3.944 6.114 1.00 0.25 H new ATOM 0 HA VAL A 59 0.079 2.242 6.781 1.00 0.25 H new ATOM 0 HB VAL A 59 2.857 1.649 5.678 1.00 0.31 H new ATOM 0 HG11 VAL A 59 1.907 -0.506 4.958 1.00 0.45 H new ATOM 0 HG12 VAL A 59 1.880 -0.324 6.728 1.00 0.45 H new ATOM 0 HG13 VAL A 59 0.385 -0.104 5.788 1.00 0.45 H new ATOM 0 HG21 VAL A 59 1.724 1.447 3.503 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.194 1.945 4.264 1.00 0.36 H new ATOM 0 HG23 VAL A 59 1.562 3.080 4.191 1.00 0.36 H new ATOM 943 N ASN A 60 0.775 1.300 8.941 1.00 0.28 N ATOM 944 CA ASN A 60 1.113 0.554 10.146 1.00 0.32 C ATOM 945 C ASN A 60 1.504 -0.866 9.756 1.00 0.32 C ATOM 946 O ASN A 60 2.355 -1.494 10.389 1.00 0.37 O ATOM 947 CB ASN A 60 -0.089 0.526 11.102 1.00 0.41 C ATOM 948 CG ASN A 60 0.194 -0.200 12.408 1.00 1.12 C ATOM 949 OD1 ASN A 60 0.055 -1.419 12.499 1.00 1.92 O ATOM 950 ND2 ASN A 60 0.569 0.546 13.435 1.00 1.68 N ATOM 0 H ASN A 60 -0.227 1.430 8.802 1.00 0.28 H new ATOM 0 HA ASN A 60 1.948 1.037 10.654 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.392 1.550 11.322 1.00 0.41 H new ATOM 0 HB3 ASN A 60 -0.930 0.045 10.602 1.00 0.41 H new ATOM 0 HD21 ASN A 60 0.753 0.113 14.340 1.00 1.68 H new ATOM 0 HD22 ASN A 60 0.674 1.554 13.322 1.00 1.68 H new ATOM 957 N GLY A 61 0.871 -1.356 8.695 1.00 0.40 N ATOM 958 CA GLY A 61 1.175 -2.673 8.174 1.00 0.47 C ATOM 959 C GLY A 61 0.081 -3.176 7.256 1.00 0.43 C ATOM 960 O GLY A 61 -0.556 -2.384 6.560 1.00 0.43 O ATOM 0 H GLY A 61 0.144 -0.856 8.183 1.00 0.40 H new ATOM 0 HA2 GLY A 61 2.120 -2.641 7.631 1.00 0.47 H new ATOM 0 HA3 GLY A 61 1.306 -3.371 9.001 1.00 0.47 H new ATOM 964 N LEU A 62 -0.158 -4.480 7.252 1.00 0.41 N ATOM 965 CA LEU A 62 -1.185 -5.065 6.402 1.00 0.38 C ATOM 966 C LEU A 62 -2.195 -5.824 7.248 1.00 0.38 C ATOM 967 O LEU A 62 -1.898 -6.231 8.370 1.00 0.42 O ATOM 968 CB LEU A 62 -0.556 -5.978 5.351 1.00 0.39 C ATOM 969 CG LEU A 62 0.256 -5.248 4.281 1.00 0.45 C ATOM 970 CD1 LEU A 62 0.759 -6.221 3.241 1.00 0.43 C ATOM 971 CD2 LEU A 62 -0.584 -4.175 3.623 1.00 0.55 C ATOM 0 H LEU A 62 0.346 -5.154 7.829 1.00 0.41 H new ATOM 0 HA LEU A 62 -1.708 -4.263 5.880 1.00 0.38 H new ATOM 0 HB2 LEU A 62 0.092 -6.697 5.853 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.347 -6.548 4.863 1.00 0.39 H new ATOM 0 HG LEU A 62 1.113 -4.778 4.763 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.335 -5.683 2.488 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.394 -6.968 3.718 1.00 0.43 H new ATOM 0 HD13 LEU A 62 -0.088 -6.715 2.766 1.00 0.43 H new ATOM 0 HD21 LEU A 62 0.008 -3.664 2.864 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -1.457 -4.631 3.156 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -0.909 -3.455 4.374 1.00 0.55 H new ATOM 983 N SER A 63 -3.394 -5.986 6.709 1.00 0.36 N ATOM 984 CA SER A 63 -4.519 -6.505 7.470 1.00 0.40 C ATOM 985 C SER A 63 -4.576 -8.032 7.521 1.00 0.46 C ATOM 986 O SER A 63 -3.771 -8.737 6.905 1.00 0.62 O ATOM 987 CB SER A 63 -5.821 -5.962 6.897 1.00 0.44 C ATOM 988 OG SER A 63 -5.900 -6.225 5.512 1.00 1.45 O ATOM 0 H SER A 63 -3.613 -5.763 5.738 1.00 0.36 H new ATOM 0 HA SER A 63 -4.378 -6.167 8.497 1.00 0.40 H new ATOM 0 HB2 SER A 63 -6.668 -6.418 7.409 1.00 0.44 H new ATOM 0 HB3 SER A 63 -5.883 -4.888 7.073 1.00 0.44 H new ATOM 0 HG SER A 63 -5.294 -5.624 5.030 1.00 1.45 H new ATOM 994 N ARG A 64 -5.550 -8.503 8.280 1.00 0.73 N ATOM 995 CA ARG A 64 -5.772 -9.920 8.524 1.00 0.94 C ATOM 996 C ARG A 64 -6.210 -10.680 7.263 1.00 0.65 C ATOM 997 O ARG A 64 -5.729 -11.785 7.009 1.00 0.72 O ATOM 998 CB ARG A 64 -6.817 -10.078 9.630 1.00 1.40 C ATOM 999 CG ARG A 64 -8.036 -9.206 9.407 1.00 2.25 C ATOM 1000 CD ARG A 64 -8.993 -9.228 10.583 1.00 2.62 C ATOM 1001 NE ARG A 64 -10.138 -8.345 10.348 1.00 3.28 N ATOM 1002 CZ ARG A 64 -11.004 -7.969 11.286 1.00 3.81 C ATOM 1003 NH1 ARG A 64 -10.922 -8.473 12.509 1.00 3.76 N ATOM 1004 NH2 ARG A 64 -11.977 -7.113 10.989 1.00 4.70 N ATOM 0 H ARG A 64 -6.223 -7.900 8.754 1.00 0.73 H new ATOM 0 HA ARG A 64 -4.823 -10.357 8.833 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -7.126 -11.122 9.686 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -6.366 -9.827 10.590 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -7.716 -8.180 9.223 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -8.559 -9.542 8.512 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -9.344 -10.246 10.751 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -8.470 -8.917 11.487 1.00 2.62 H new ATOM 0 HE ARG A 64 -10.281 -7.994 9.401 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -10.194 -9.151 12.733 1.00 3.76 H new ATOM 0 HH12 ARG A 64 -11.587 -8.183 13.226 1.00 3.76 H new ATOM 0 HH21 ARG A 64 -12.060 -6.744 10.042 1.00 4.70 H new ATOM 0 HH22 ARG A 64 -12.640 -6.825 11.708 1.00 4.70 H new ATOM 1018 N ALA A 65 -7.108 -10.101 6.466 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.683 -10.832 5.339 1.00 0.32 C ATOM 1020 C ALA A 65 -7.728 -9.993 4.061 1.00 0.30 C ATOM 1021 O ALA A 65 -7.654 -8.764 4.107 1.00 0.33 O ATOM 1022 CB ALA A 65 -9.081 -11.315 5.700 1.00 0.47 C ATOM 0 H ALA A 65 -7.448 -9.146 6.577 1.00 0.45 H new ATOM 0 HA ALA A 65 -7.036 -11.686 5.137 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.507 -11.860 4.857 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -9.026 -11.973 6.567 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -9.713 -10.458 5.935 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.822 -10.668 2.897 1.00 0.27 N ATOM 1029 CA PRO A 66 -7.992 -10.009 1.592 1.00 0.29 C ATOM 1030 C PRO A 66 -9.294 -9.217 1.504 1.00 0.27 C ATOM 1031 O PRO A 66 -10.290 -9.547 2.153 1.00 0.26 O ATOM 1032 CB PRO A 66 -8.028 -11.176 0.599 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.369 -12.302 1.310 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.731 -12.131 2.755 1.00 0.27 C ATOM 0 HA PRO A 66 -7.197 -9.288 1.403 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -9.052 -11.428 0.322 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -7.501 -10.928 -0.322 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -7.716 -13.263 0.930 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -6.288 -12.275 1.170 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.675 -12.620 2.996 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -6.974 -12.555 3.415 1.00 0.27 H new ATOM 1042 N ALA A 67 -9.278 -8.193 0.650 1.00 0.29 N ATOM 1043 CA ALA A 67 -10.379 -7.237 0.524 1.00 0.28 C ATOM 1044 C ALA A 67 -11.690 -7.897 0.109 1.00 0.26 C ATOM 1045 O ALA A 67 -12.767 -7.329 0.306 1.00 0.27 O ATOM 1046 CB ALA A 67 -10.007 -6.151 -0.476 1.00 0.35 C ATOM 0 H ALA A 67 -8.497 -8.002 0.023 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.539 -6.801 1.510 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.830 -5.442 -0.566 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -9.114 -5.629 -0.131 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.810 -6.603 -1.448 1.00 0.35 H new ATOM 1052 N SER A 68 -11.598 -9.087 -0.465 1.00 0.30 N ATOM 1053 CA SER A 68 -12.776 -9.816 -0.911 1.00 0.35 C ATOM 1054 C SER A 68 -13.590 -10.355 0.270 1.00 0.31 C ATOM 1055 O SER A 68 -14.797 -10.576 0.153 1.00 0.40 O ATOM 1056 CB SER A 68 -12.352 -10.968 -1.819 1.00 0.48 C ATOM 1057 OG SER A 68 -11.494 -10.510 -2.850 1.00 1.42 O ATOM 0 H SER A 68 -10.716 -9.570 -0.634 1.00 0.30 H new ATOM 0 HA SER A 68 -13.412 -9.124 -1.463 1.00 0.35 H new ATOM 0 HB2 SER A 68 -11.844 -11.732 -1.231 1.00 0.48 H new ATOM 0 HB3 SER A 68 -13.234 -11.436 -2.256 1.00 0.48 H new ATOM 0 HG SER A 68 -11.234 -11.265 -3.418 1.00 1.42 H new ATOM 1063 N SER A 69 -12.930 -10.559 1.405 1.00 0.28 N ATOM 1064 CA SER A 69 -13.585 -11.151 2.563 1.00 0.37 C ATOM 1065 C SER A 69 -13.507 -10.231 3.780 1.00 0.33 C ATOM 1066 O SER A 69 -14.183 -10.459 4.783 1.00 0.42 O ATOM 1067 CB SER A 69 -12.946 -12.506 2.883 1.00 0.50 C ATOM 1068 OG SER A 69 -13.602 -13.147 3.963 1.00 1.46 O ATOM 0 H SER A 69 -11.948 -10.324 1.546 1.00 0.28 H new ATOM 0 HA SER A 69 -14.638 -11.294 2.322 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.985 -13.145 2.001 1.00 0.50 H new ATOM 0 HB3 SER A 69 -11.893 -12.364 3.128 1.00 0.50 H new ATOM 0 HG SER A 69 -14.043 -12.475 4.523 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.695 -9.189 3.685 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.486 -8.288 4.806 1.00 0.35 C ATOM 1076 C GLU A 70 -13.696 -7.374 4.988 1.00 0.37 C ATOM 1077 O GLU A 70 -14.031 -6.583 4.102 1.00 0.37 O ATOM 1078 CB GLU A 70 -11.219 -7.456 4.591 1.00 0.42 C ATOM 1079 CG GLU A 70 -10.762 -6.709 5.835 1.00 0.78 C ATOM 1080 CD GLU A 70 -10.340 -7.645 6.951 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -9.199 -8.140 6.913 1.00 1.03 O ATOM 1082 OE2 GLU A 70 -11.150 -7.895 7.873 1.00 1.26 O ATOM 0 H GLU A 70 -12.171 -8.947 2.844 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.362 -8.884 5.710 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -10.416 -8.112 4.256 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -11.398 -6.737 3.791 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -9.928 -6.056 5.577 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -11.570 -6.069 6.188 1.00 0.78 H new ATOM 1089 N THR A 71 -14.352 -7.506 6.132 1.00 0.44 N ATOM 1090 CA THR A 71 -15.484 -6.664 6.475 1.00 0.48 C ATOM 1091 C THR A 71 -15.051 -5.554 7.418 1.00 0.58 C ATOM 1092 O THR A 71 -14.158 -5.741 8.250 1.00 0.85 O ATOM 1093 CB THR A 71 -16.631 -7.481 7.108 1.00 0.61 C ATOM 1094 OG1 THR A 71 -16.142 -8.320 8.166 1.00 0.76 O ATOM 1095 CG2 THR A 71 -17.319 -8.339 6.059 1.00 0.62 C ATOM 0 H THR A 71 -14.114 -8.197 6.844 1.00 0.44 H new ATOM 0 HA THR A 71 -15.858 -6.224 5.551 1.00 0.48 H new ATOM 0 HB THR A 71 -17.350 -6.775 7.522 1.00 0.61 H new ATOM 0 HG1 THR A 71 -16.887 -8.826 8.553 1.00 0.76 H new ATOM 0 HG21 THR A 71 -18.124 -8.907 6.525 1.00 0.62 H new ATOM 0 HG22 THR A 71 -17.731 -7.699 5.278 1.00 0.62 H new ATOM 0 HG23 THR A 71 -16.596 -9.027 5.620 1.00 0.62 H new ATOM 1103 N PHE A 72 -15.680 -4.403 7.277 1.00 0.51 N ATOM 1104 CA PHE A 72 -15.354 -3.248 8.088 1.00 0.59 C ATOM 1105 C PHE A 72 -16.598 -2.399 8.261 1.00 0.68 C ATOM 1106 O PHE A 72 -17.472 -2.385 7.389 1.00 0.64 O ATOM 1107 CB PHE A 72 -14.214 -2.431 7.459 1.00 0.58 C ATOM 1108 CG PHE A 72 -14.562 -1.769 6.154 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -14.680 -2.511 4.990 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -14.764 -0.398 6.094 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -14.994 -1.899 3.793 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -15.077 0.218 4.898 1.00 0.67 C ATOM 1113 CZ PHE A 72 -15.194 -0.534 3.748 1.00 0.52 C ATOM 0 H PHE A 72 -16.427 -4.243 6.601 1.00 0.51 H new ATOM 0 HA PHE A 72 -15.007 -3.584 9.065 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -13.901 -1.664 8.168 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -13.359 -3.088 7.301 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.525 -3.579 5.019 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -14.676 0.195 6.993 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -15.083 -2.488 2.892 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -15.230 1.287 4.864 1.00 0.67 H new ATOM 0 HZ PHE A 72 -15.442 -0.055 2.812 1.00 0.52 H new ATOM 1123 N GLU A 73 -16.690 -1.715 9.387 1.00 0.83 N ATOM 1124 CA GLU A 73 -17.870 -0.933 9.696 1.00 0.94 C ATOM 1125 C GLU A 73 -17.707 0.490 9.178 1.00 0.99 C ATOM 1126 O GLU A 73 -16.906 1.271 9.698 1.00 1.09 O ATOM 1127 CB GLU A 73 -18.130 -0.946 11.202 1.00 1.14 C ATOM 1128 CG GLU A 73 -19.517 -0.466 11.585 1.00 1.27 C ATOM 1129 CD GLU A 73 -19.838 -0.743 13.037 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -20.083 -1.915 13.390 1.00 1.96 O ATOM 1131 OE2 GLU A 73 -19.856 0.214 13.837 1.00 2.03 O ATOM 0 H GLU A 73 -15.962 -1.686 10.101 1.00 0.83 H new ATOM 0 HA GLU A 73 -18.733 -1.377 9.200 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -17.989 -1.960 11.577 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -17.388 -0.318 11.695 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -19.594 0.605 11.396 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -20.257 -0.956 10.952 1.00 1.27 H new ATOM 1138 N HIS A 74 -18.472 0.811 8.149 1.00 0.97 N ATOM 1139 CA HIS A 74 -18.407 2.111 7.501 1.00 1.06 C ATOM 1140 C HIS A 74 -19.812 2.690 7.409 1.00 1.17 C ATOM 1141 O HIS A 74 -20.702 2.067 6.830 1.00 1.05 O ATOM 1142 CB HIS A 74 -17.781 1.964 6.108 1.00 1.04 C ATOM 1143 CG HIS A 74 -17.621 3.253 5.356 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -16.593 4.122 5.633 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -18.375 3.765 4.353 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -16.742 5.136 4.796 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -17.808 4.964 4.000 1.00 1.28 N ATOM 0 H HIS A 74 -19.157 0.177 7.738 1.00 0.97 H new ATOM 0 HA HIS A 74 -17.784 2.790 8.083 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -16.803 1.495 6.211 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -18.398 1.288 5.516 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -19.254 3.315 3.915 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -16.088 5.994 4.758 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -18.134 5.601 3.273 1.00 1.28 H new ATOM 1155 N ASP A 75 -20.016 3.853 8.027 1.00 1.43 N ATOM 1156 CA ASP A 75 -21.337 4.486 8.089 1.00 1.59 C ATOM 1157 C ASP A 75 -22.299 3.635 8.911 1.00 1.49 C ATOM 1158 O ASP A 75 -23.517 3.758 8.792 1.00 1.50 O ATOM 1159 CB ASP A 75 -21.916 4.730 6.686 1.00 1.65 C ATOM 1160 CG ASP A 75 -21.398 6.000 6.043 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -20.239 6.002 5.572 1.00 2.27 O ATOM 1162 OD2 ASP A 75 -22.131 7.007 6.011 1.00 2.67 O ATOM 0 H ASP A 75 -19.279 4.380 8.495 1.00 1.43 H new ATOM 0 HA ASP A 75 -21.213 5.454 8.574 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -21.674 3.881 6.047 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -23.003 4.780 6.751 1.00 1.65 H new ATOM 1167 N GLY A 76 -21.736 2.779 9.756 1.00 1.43 N ATOM 1168 CA GLY A 76 -22.543 1.895 10.574 1.00 1.41 C ATOM 1169 C GLY A 76 -22.874 0.596 9.864 1.00 1.19 C ATOM 1170 O GLY A 76 -23.534 -0.278 10.426 1.00 1.18 O ATOM 0 H GLY A 76 -20.729 2.682 9.889 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -22.012 1.675 11.500 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -23.468 2.402 10.849 1.00 1.41 H new ATOM 1174 N LYS A 77 -22.412 0.468 8.628 1.00 1.06 N ATOM 1175 CA LYS A 77 -22.677 -0.720 7.830 1.00 0.89 C ATOM 1176 C LYS A 77 -21.393 -1.515 7.633 1.00 0.77 C ATOM 1177 O LYS A 77 -20.362 -0.952 7.267 1.00 0.74 O ATOM 1178 CB LYS A 77 -23.252 -0.324 6.465 1.00 0.87 C ATOM 1179 CG LYS A 77 -24.420 0.650 6.545 1.00 1.06 C ATOM 1180 CD LYS A 77 -25.679 -0.004 7.095 1.00 1.13 C ATOM 1181 CE LYS A 77 -26.274 -0.993 6.104 1.00 1.40 C ATOM 1182 NZ LYS A 77 -27.582 -1.519 6.570 1.00 2.19 N ATOM 0 H LYS A 77 -21.850 1.175 8.155 1.00 1.06 H new ATOM 0 HA LYS A 77 -23.404 -1.338 8.357 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -22.460 0.123 5.864 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -23.578 -1.224 5.944 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -24.145 1.493 7.178 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -24.625 1.051 5.552 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -25.445 -0.518 8.027 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -26.416 0.764 7.330 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -26.401 -0.507 5.137 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -25.581 -1.821 5.956 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -27.956 -2.190 5.869 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -27.456 -2.005 7.481 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -28.251 -0.731 6.687 1.00 2.19 H new ATOM 1196 N LYS A 78 -21.444 -2.813 7.889 1.00 0.76 N ATOM 1197 CA LYS A 78 -20.289 -3.667 7.652 1.00 0.71 C ATOM 1198 C LYS A 78 -20.342 -4.235 6.245 1.00 0.61 C ATOM 1199 O LYS A 78 -21.243 -5.001 5.901 1.00 0.70 O ATOM 1200 CB LYS A 78 -20.216 -4.800 8.678 1.00 0.88 C ATOM 1201 CG LYS A 78 -20.041 -4.306 10.106 1.00 1.05 C ATOM 1202 CD LYS A 78 -20.303 -5.402 11.133 1.00 1.31 C ATOM 1203 CE LYS A 78 -19.330 -6.564 10.991 1.00 1.47 C ATOM 1204 NZ LYS A 78 -19.566 -7.609 12.022 1.00 1.55 N ATOM 0 H LYS A 78 -22.264 -3.295 8.257 1.00 0.76 H new ATOM 0 HA LYS A 78 -19.391 -3.059 7.760 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -21.126 -5.397 8.616 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -19.385 -5.458 8.424 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -19.028 -3.925 10.235 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -20.720 -3.473 10.286 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -20.224 -4.984 12.137 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -21.323 -5.768 11.020 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -19.430 -7.003 9.998 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -18.308 -6.195 11.075 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -18.884 -8.384 11.893 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -19.446 -7.196 12.969 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -20.533 -7.979 11.926 1.00 1.55 H new ATOM 1218 N VAL A 79 -19.383 -3.838 5.433 1.00 0.51 N ATOM 1219 CA VAL A 79 -19.310 -4.285 4.055 1.00 0.42 C ATOM 1220 C VAL A 79 -17.942 -4.891 3.789 1.00 0.37 C ATOM 1221 O VAL A 79 -17.081 -4.884 4.670 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.552 -3.117 3.067 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -20.962 -2.568 3.209 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.533 -2.009 3.278 1.00 0.34 C ATOM 0 H VAL A 79 -18.636 -3.200 5.707 1.00 0.51 H new ATOM 0 HA VAL A 79 -20.090 -5.031 3.901 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.434 -3.507 2.056 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -21.106 -1.749 2.504 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.683 -3.358 2.999 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -21.109 -2.202 4.225 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -18.724 -1.200 2.573 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.614 -1.629 4.296 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.529 -2.402 3.117 1.00 0.34 H new ATOM 1234 N THR A 80 -17.740 -5.401 2.586 1.00 0.34 N ATOM 1235 CA THR A 80 -16.444 -5.910 2.184 1.00 0.30 C ATOM 1236 C THR A 80 -15.788 -4.891 1.271 1.00 0.23 C ATOM 1237 O THR A 80 -16.463 -4.254 0.463 1.00 0.21 O ATOM 1238 CB THR A 80 -16.577 -7.251 1.440 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.544 -7.131 0.389 1.00 0.67 O ATOM 1240 CG2 THR A 80 -16.989 -8.363 2.390 1.00 0.65 C ATOM 0 H THR A 80 -18.462 -5.473 1.869 1.00 0.34 H new ATOM 0 HA THR A 80 -15.839 -6.077 3.075 1.00 0.30 H new ATOM 0 HB THR A 80 -15.605 -7.503 1.016 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.623 -7.987 -0.082 1.00 0.67 H new ATOM 0 HG21 THR A 80 -17.076 -9.299 1.839 1.00 0.65 H new ATOM 0 HG22 THR A 80 -16.237 -8.471 3.172 1.00 0.65 H new ATOM 0 HG23 THR A 80 -17.950 -8.118 2.842 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.476 -4.748 1.399 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.728 -3.733 0.664 1.00 0.23 C ATOM 1250 C ILE A 81 -13.856 -3.924 -0.847 1.00 0.20 C ATOM 1251 O ILE A 81 -13.873 -2.953 -1.600 1.00 0.22 O ATOM 1252 CB ILE A 81 -12.239 -3.739 1.082 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -12.110 -3.367 2.557 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.421 -2.782 0.228 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -10.730 -3.598 3.124 1.00 0.71 C ATOM 0 H ILE A 81 -13.902 -5.328 2.011 1.00 0.24 H new ATOM 0 HA ILE A 81 -14.159 -2.764 0.916 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.848 -4.745 0.928 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -12.373 -2.317 2.682 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -12.831 -3.947 3.133 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.379 -2.810 0.547 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.488 -3.080 -0.818 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -11.809 -1.770 0.343 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -10.716 -3.311 4.175 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.471 -4.653 3.032 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -10.005 -2.997 2.574 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.970 -5.171 -1.287 1.00 0.17 N ATOM 1268 CA ALA A 82 -14.116 -5.454 -2.709 1.00 0.17 C ATOM 1269 C ALA A 82 -15.425 -4.882 -3.258 1.00 0.18 C ATOM 1270 O ALA A 82 -15.416 -4.127 -4.230 1.00 0.21 O ATOM 1271 CB ALA A 82 -14.044 -6.949 -2.963 1.00 0.17 C ATOM 0 H ALA A 82 -13.964 -5.995 -0.686 1.00 0.17 H new ATOM 0 HA ALA A 82 -13.292 -4.969 -3.233 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -14.155 -7.143 -4.030 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -13.081 -7.330 -2.623 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.845 -7.450 -2.418 1.00 0.17 H new ATOM 1277 N SER A 83 -16.541 -5.197 -2.604 1.00 0.18 N ATOM 1278 CA SER A 83 -17.848 -4.706 -3.042 1.00 0.20 C ATOM 1279 C SER A 83 -17.960 -3.206 -2.782 1.00 0.21 C ATOM 1280 O SER A 83 -18.654 -2.475 -3.497 1.00 0.25 O ATOM 1281 CB SER A 83 -18.963 -5.459 -2.309 1.00 0.23 C ATOM 1282 OG SER A 83 -18.885 -6.856 -2.549 1.00 1.11 O ATOM 0 H SER A 83 -16.568 -5.787 -1.773 1.00 0.18 H new ATOM 0 HA SER A 83 -17.952 -4.882 -4.113 1.00 0.20 H new ATOM 0 HB2 SER A 83 -18.892 -5.267 -1.238 1.00 0.23 H new ATOM 0 HB3 SER A 83 -19.933 -5.085 -2.636 1.00 0.23 H new ATOM 0 HG SER A 83 -18.480 -7.299 -1.774 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.260 -2.770 -1.748 1.00 0.21 N ATOM 1289 CA TYR A 84 -17.202 -1.375 -1.358 1.00 0.24 C ATOM 1290 C TYR A 84 -16.579 -0.522 -2.461 1.00 0.25 C ATOM 1291 O TYR A 84 -17.115 0.529 -2.804 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.425 -1.279 -0.040 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.817 0.062 0.279 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.601 1.183 0.517 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.442 0.184 0.381 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -16.021 2.394 0.842 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -13.853 1.384 0.700 1.00 0.37 C ATOM 1298 CZ TYR A 84 -14.646 2.490 0.934 1.00 0.39 C ATOM 1299 OH TYR A 84 -14.067 3.692 1.264 1.00 0.49 O ATOM 0 H TYR A 84 -16.709 -3.385 -1.149 1.00 0.21 H new ATOM 0 HA TYR A 84 -18.208 -0.983 -1.207 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -17.096 -1.553 0.774 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.627 -2.021 -0.058 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.676 1.107 0.447 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.820 -0.681 0.206 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -16.639 3.261 1.023 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -12.778 1.461 0.767 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.093 3.590 1.288 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.467 -0.982 -3.029 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.846 -0.273 -4.144 1.00 0.23 C ATOM 1311 C PHE A 85 -15.646 -0.467 -5.429 1.00 0.25 C ATOM 1312 O PHE A 85 -15.794 0.470 -6.211 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.387 -0.706 -4.350 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.412 -0.010 -3.436 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -12.127 -0.514 -2.180 1.00 0.35 C ATOM 1316 CD2 PHE A 85 -11.784 1.159 -3.835 1.00 0.48 C ATOM 1317 CE1 PHE A 85 -11.236 0.130 -1.339 1.00 0.39 C ATOM 1318 CE2 PHE A 85 -10.893 1.807 -2.998 1.00 0.54 C ATOM 1319 CZ PHE A 85 -10.621 1.290 -1.748 1.00 0.39 C ATOM 0 H PHE A 85 -14.983 -1.832 -2.740 1.00 0.22 H new ATOM 0 HA PHE A 85 -14.847 0.788 -3.892 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.312 -1.782 -4.195 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -13.103 -0.513 -5.384 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -12.607 -1.424 -1.850 1.00 0.35 H new ATOM 0 HD2 PHE A 85 -11.993 1.570 -4.812 1.00 0.48 H new ATOM 0 HE1 PHE A 85 -11.024 -0.278 -0.362 1.00 0.39 H new ATOM 0 HE2 PHE A 85 -10.411 2.717 -3.323 1.00 0.54 H new ATOM 0 HZ PHE A 85 -9.927 1.795 -1.093 1.00 0.39 H new ATOM 1329 N HIS A 86 -16.177 -1.674 -5.641 1.00 0.24 N ATOM 1330 CA HIS A 86 -17.000 -1.951 -6.824 1.00 0.29 C ATOM 1331 C HIS A 86 -18.159 -0.961 -6.939 1.00 0.31 C ATOM 1332 O HIS A 86 -18.359 -0.344 -7.987 1.00 0.36 O ATOM 1333 CB HIS A 86 -17.555 -3.378 -6.796 1.00 0.31 C ATOM 1334 CG HIS A 86 -16.617 -4.414 -7.334 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -16.309 -5.547 -6.622 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -15.975 -4.453 -8.525 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -15.489 -6.244 -7.389 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -15.257 -5.621 -8.553 1.00 1.19 N ATOM 0 H HIS A 86 -16.054 -2.470 -5.015 1.00 0.24 H new ATOM 0 HA HIS A 86 -16.351 -1.840 -7.693 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -17.812 -3.636 -5.768 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -18.480 -3.407 -7.372 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -16.020 -3.707 -9.304 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -15.060 -7.196 -7.113 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -14.662 -5.952 -9.312 1.00 1.19 H new ATOM 1346 N SER A 87 -18.902 -0.794 -5.849 1.00 0.33 N ATOM 1347 CA SER A 87 -20.056 0.095 -5.837 1.00 0.37 C ATOM 1348 C SER A 87 -19.611 1.554 -5.817 1.00 0.36 C ATOM 1349 O SER A 87 -20.362 2.454 -6.188 1.00 0.44 O ATOM 1350 CB SER A 87 -20.918 -0.214 -4.618 1.00 0.44 C ATOM 1351 OG SER A 87 -21.219 -1.598 -4.559 1.00 1.34 O ATOM 0 H SER A 87 -18.724 -1.264 -4.962 1.00 0.33 H new ATOM 0 HA SER A 87 -20.640 -0.067 -6.743 1.00 0.37 H new ATOM 0 HB2 SER A 87 -20.396 0.089 -3.710 1.00 0.44 H new ATOM 0 HB3 SER A 87 -21.842 0.363 -4.663 1.00 0.44 H new ATOM 0 HG SER A 87 -20.444 -2.087 -4.212 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.378 1.770 -5.384 1.00 0.32 N ATOM 1358 CA ARG A 88 -17.786 3.102 -5.380 1.00 0.36 C ATOM 1359 C ARG A 88 -17.172 3.416 -6.743 1.00 0.38 C ATOM 1360 O ARG A 88 -16.389 4.356 -6.881 1.00 0.47 O ATOM 1361 CB ARG A 88 -16.729 3.220 -4.285 1.00 0.44 C ATOM 1362 CG ARG A 88 -16.984 4.356 -3.306 1.00 0.83 C ATOM 1363 CD ARG A 88 -18.276 4.155 -2.529 1.00 1.10 C ATOM 1364 NE ARG A 88 -18.477 5.214 -1.542 1.00 1.79 N ATOM 1365 CZ ARG A 88 -19.342 5.153 -0.530 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -20.133 4.099 -0.373 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -19.428 6.167 0.321 1.00 3.30 N ATOM 0 H ARG A 88 -17.764 1.037 -5.029 1.00 0.32 H new ATOM 0 HA ARG A 88 -18.575 3.826 -5.176 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -16.684 2.281 -3.734 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -15.753 3.365 -4.749 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -16.149 4.429 -2.609 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -17.030 5.300 -3.849 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -19.118 4.136 -3.220 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -18.253 3.188 -2.027 1.00 1.10 H new ATOM 0 HE ARG A 88 -17.915 6.060 -1.634 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -20.084 3.322 -1.032 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -20.790 4.066 0.406 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -18.834 6.987 0.199 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -20.088 6.126 1.098 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.520 2.591 -7.731 1.00 0.37 N ATOM 1382 CA ASN A 89 -17.131 2.795 -9.126 1.00 0.44 C ATOM 1383 C ASN A 89 -15.643 2.565 -9.348 1.00 0.48 C ATOM 1384 O ASN A 89 -15.011 3.244 -10.160 1.00 0.66 O ATOM 1385 CB ASN A 89 -17.543 4.187 -9.623 1.00 0.51 C ATOM 1386 CG ASN A 89 -19.046 4.328 -9.791 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -19.607 5.404 -9.590 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -19.708 3.246 -10.176 1.00 1.87 N ATOM 0 H ASN A 89 -18.085 1.755 -7.584 1.00 0.37 H new ATOM 0 HA ASN A 89 -17.667 2.049 -9.712 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -17.188 4.940 -8.919 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -17.055 4.387 -10.577 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -20.718 3.288 -10.315 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -19.208 2.371 -10.333 1.00 1.87 H new ATOM 1395 N TYR A 90 -15.089 1.607 -8.625 1.00 0.36 N ATOM 1396 CA TYR A 90 -13.730 1.159 -8.871 1.00 0.36 C ATOM 1397 C TYR A 90 -13.641 -0.357 -8.739 1.00 0.33 C ATOM 1398 O TYR A 90 -13.492 -0.890 -7.641 1.00 0.30 O ATOM 1399 CB TYR A 90 -12.735 1.819 -7.913 1.00 0.37 C ATOM 1400 CG TYR A 90 -11.299 1.469 -8.237 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -10.624 2.128 -9.253 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -10.632 0.460 -7.553 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -9.323 1.799 -9.577 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -9.334 0.119 -7.875 1.00 0.51 C ATOM 1405 CZ TYR A 90 -8.683 0.792 -8.887 1.00 0.61 C ATOM 1406 OH TYR A 90 -7.393 0.444 -9.217 1.00 0.73 O ATOM 0 H TYR A 90 -15.561 1.124 -7.861 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.468 1.453 -9.887 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -12.860 2.901 -7.954 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -12.959 1.510 -6.892 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -11.125 2.913 -9.801 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -11.137 -0.066 -6.757 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -8.810 2.328 -10.367 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -8.831 -0.671 -7.337 1.00 0.51 H new ATOM 0 HH TYR A 90 -6.922 1.229 -9.567 1.00 0.73 H new ATOM 1416 N PRO A 91 -13.746 -1.078 -9.858 1.00 0.38 N ATOM 1417 CA PRO A 91 -13.583 -2.526 -9.861 1.00 0.38 C ATOM 1418 C PRO A 91 -12.122 -2.917 -9.648 1.00 0.36 C ATOM 1419 O PRO A 91 -11.270 -2.684 -10.511 1.00 0.45 O ATOM 1420 CB PRO A 91 -14.079 -2.939 -11.247 1.00 0.45 C ATOM 1421 CG PRO A 91 -13.860 -1.738 -12.102 1.00 0.50 C ATOM 1422 CD PRO A 91 -14.032 -0.543 -11.202 1.00 0.47 C ATOM 0 HA PRO A 91 -14.130 -3.018 -9.057 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -13.527 -3.800 -11.625 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -15.132 -3.221 -11.223 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -12.864 -1.752 -12.544 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -14.574 -1.711 -12.925 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -13.346 0.261 -11.468 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -15.041 -0.135 -11.265 1.00 0.47 H new ATOM 1430 N LEU A 92 -11.835 -3.469 -8.476 1.00 0.32 N ATOM 1431 CA LEU A 92 -10.479 -3.848 -8.104 1.00 0.32 C ATOM 1432 C LEU A 92 -9.846 -4.797 -9.112 1.00 0.30 C ATOM 1433 O LEU A 92 -10.446 -5.792 -9.519 1.00 0.30 O ATOM 1434 CB LEU A 92 -10.471 -4.506 -6.731 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.872 -3.604 -5.569 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -10.977 -4.405 -4.283 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -9.862 -2.485 -5.415 1.00 0.32 C ATOM 0 H LEU A 92 -12.533 -3.666 -7.759 1.00 0.32 H new ATOM 0 HA LEU A 92 -9.891 -2.931 -8.086 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -11.146 -5.362 -6.754 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -9.471 -4.894 -6.539 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.850 -3.172 -5.781 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -11.264 -3.744 -3.465 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -11.729 -5.185 -4.401 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -10.013 -4.862 -4.059 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -10.154 -1.844 -4.583 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -8.877 -2.908 -5.219 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -9.828 -1.897 -6.332 1.00 0.32 H new ATOM 1449 N LYS A 93 -8.621 -4.471 -9.497 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.864 -5.299 -10.416 1.00 0.30 C ATOM 1451 C LYS A 93 -7.218 -6.457 -9.669 1.00 0.31 C ATOM 1452 O LYS A 93 -6.877 -7.484 -10.252 1.00 0.36 O ATOM 1453 CB LYS A 93 -6.813 -4.462 -11.138 1.00 0.38 C ATOM 1454 CG LYS A 93 -7.411 -3.295 -11.905 1.00 0.53 C ATOM 1455 CD LYS A 93 -6.424 -2.704 -12.899 1.00 0.84 C ATOM 1456 CE LYS A 93 -5.199 -2.131 -12.211 1.00 1.06 C ATOM 1457 NZ LYS A 93 -4.246 -1.550 -13.189 1.00 1.55 N ATOM 0 H LYS A 93 -8.130 -3.634 -9.184 1.00 0.30 H new ATOM 0 HA LYS A 93 -8.543 -5.711 -11.163 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -6.096 -4.083 -10.410 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -6.260 -5.099 -11.829 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -8.304 -3.628 -12.434 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -7.726 -2.523 -11.203 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -6.116 -3.475 -13.606 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -6.916 -1.921 -13.476 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -5.506 -1.363 -11.500 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -4.702 -2.915 -11.639 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -3.421 -1.168 -12.685 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -3.935 -2.289 -13.852 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -4.713 -0.786 -13.717 1.00 1.55 H new ATOM 1471 N PHE A 94 -7.065 -6.276 -8.365 1.00 0.35 N ATOM 1472 CA PHE A 94 -6.534 -7.316 -7.496 1.00 0.44 C ATOM 1473 C PHE A 94 -7.284 -7.290 -6.162 1.00 0.44 C ATOM 1474 O PHE A 94 -6.745 -6.857 -5.154 1.00 0.48 O ATOM 1475 CB PHE A 94 -5.028 -7.119 -7.238 1.00 0.58 C ATOM 1476 CG PHE A 94 -4.206 -6.819 -8.464 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -3.657 -7.841 -9.230 1.00 0.70 C ATOM 1478 CD2 PHE A 94 -3.978 -5.507 -8.848 1.00 0.57 C ATOM 1479 CE1 PHE A 94 -2.898 -7.553 -10.348 1.00 0.77 C ATOM 1480 CE2 PHE A 94 -3.217 -5.218 -9.965 1.00 0.61 C ATOM 1481 CZ PHE A 94 -2.680 -6.243 -10.717 1.00 0.70 C ATOM 0 H PHE A 94 -7.304 -5.410 -7.882 1.00 0.35 H new ATOM 0 HA PHE A 94 -6.671 -8.278 -7.991 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -4.900 -6.304 -6.525 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -4.635 -8.020 -6.767 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -3.825 -8.870 -8.948 1.00 0.70 H new ATOM 0 HD2 PHE A 94 -4.400 -4.700 -8.267 1.00 0.57 H new ATOM 0 HE1 PHE A 94 -2.475 -8.356 -10.934 1.00 0.77 H new ATOM 0 HE2 PHE A 94 -3.043 -4.191 -10.249 1.00 0.61 H new ATOM 0 HZ PHE A 94 -2.090 -6.019 -11.593 1.00 0.70 H new ATOM 1491 N PRO A 95 -8.554 -7.731 -6.141 1.00 0.45 N ATOM 1492 CA PRO A 95 -9.371 -7.729 -4.921 1.00 0.52 C ATOM 1493 C PRO A 95 -8.896 -8.769 -3.913 1.00 0.51 C ATOM 1494 O PRO A 95 -9.146 -8.658 -2.713 1.00 0.55 O ATOM 1495 CB PRO A 95 -10.784 -8.083 -5.412 1.00 0.66 C ATOM 1496 CG PRO A 95 -10.726 -8.032 -6.906 1.00 0.57 C ATOM 1497 CD PRO A 95 -9.294 -8.265 -7.287 1.00 0.45 C ATOM 0 HA PRO A 95 -9.317 -6.769 -4.407 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -11.080 -9.073 -5.067 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -11.520 -7.377 -5.026 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -11.372 -8.792 -7.345 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -11.073 -7.067 -7.275 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -9.086 -9.323 -7.444 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -9.034 -7.749 -8.211 1.00 0.45 H new ATOM 1505 N GLN A 96 -8.182 -9.763 -4.414 1.00 0.56 N ATOM 1506 CA GLN A 96 -7.794 -10.913 -3.618 1.00 0.70 C ATOM 1507 C GLN A 96 -6.449 -10.699 -2.922 1.00 0.75 C ATOM 1508 O GLN A 96 -5.742 -11.662 -2.626 1.00 0.96 O ATOM 1509 CB GLN A 96 -7.740 -12.153 -4.512 1.00 0.83 C ATOM 1510 CG GLN A 96 -9.086 -12.513 -5.120 1.00 0.93 C ATOM 1511 CD GLN A 96 -8.979 -13.552 -6.215 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -8.823 -13.214 -7.389 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -9.058 -14.820 -5.845 1.00 2.31 N ATOM 0 H GLN A 96 -7.857 -9.795 -5.380 1.00 0.56 H new ATOM 0 HA GLN A 96 -8.541 -11.053 -2.836 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -7.020 -11.984 -5.313 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -7.375 -12.998 -3.928 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -9.745 -12.886 -4.336 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -9.549 -11.613 -5.524 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -9.187 -15.057 -4.861 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -8.989 -15.560 -6.543 1.00 2.31 H new ATOM 1522 N LEU A 97 -6.100 -9.445 -2.661 1.00 0.67 N ATOM 1523 CA LEU A 97 -4.873 -9.138 -1.936 1.00 0.81 C ATOM 1524 C LEU A 97 -5.187 -8.743 -0.501 1.00 0.61 C ATOM 1525 O LEU A 97 -6.309 -8.332 -0.197 1.00 0.55 O ATOM 1526 CB LEU A 97 -4.060 -8.026 -2.637 1.00 1.09 C ATOM 1527 CG LEU A 97 -4.805 -6.730 -3.016 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -5.223 -5.922 -1.797 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -3.934 -5.879 -3.926 1.00 2.44 C ATOM 0 H LEU A 97 -6.645 -8.629 -2.938 1.00 0.67 H new ATOM 0 HA LEU A 97 -4.261 -10.040 -1.927 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -3.227 -7.757 -1.987 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -3.631 -8.446 -3.547 1.00 1.09 H new ATOM 0 HG LEU A 97 -5.716 -7.022 -3.539 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -5.743 -5.020 -2.119 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -5.887 -6.521 -1.174 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -4.339 -5.645 -1.223 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -4.467 -4.965 -4.189 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -3.009 -5.623 -3.409 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -3.701 -6.437 -4.833 1.00 2.44 H new ATOM 1541 N HIS A 98 -4.204 -8.898 0.378 1.00 0.58 N ATOM 1542 CA HIS A 98 -4.318 -8.401 1.740 1.00 0.51 C ATOM 1543 C HIS A 98 -4.472 -6.890 1.720 1.00 0.54 C ATOM 1544 O HIS A 98 -3.784 -6.191 0.972 1.00 0.68 O ATOM 1545 CB HIS A 98 -3.095 -8.801 2.569 1.00 0.53 C ATOM 1546 CG HIS A 98 -3.050 -10.260 2.900 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -2.517 -11.178 2.028 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -3.489 -10.903 4.007 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -2.644 -12.353 2.621 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -3.227 -12.236 3.822 1.00 0.65 N ATOM 0 H HIS A 98 -3.321 -9.364 0.170 1.00 0.58 H new ATOM 0 HA HIS A 98 -5.199 -8.846 2.203 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -2.191 -8.533 2.022 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -3.090 -8.226 3.495 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -3.956 -10.453 4.870 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -2.319 -13.289 2.192 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -3.436 -12.993 4.473 1.00 0.65 H new ATOM 1558 N CYS A 99 -5.349 -6.392 2.565 1.00 0.46 N ATOM 1559 CA CYS A 99 -5.705 -4.988 2.536 1.00 0.52 C ATOM 1560 C CYS A 99 -4.626 -4.168 3.221 1.00 0.45 C ATOM 1561 O CYS A 99 -4.148 -4.539 4.297 1.00 0.53 O ATOM 1562 CB CYS A 99 -7.047 -4.768 3.226 1.00 0.64 C ATOM 1563 SG CYS A 99 -8.294 -6.003 2.806 1.00 0.55 S ATOM 0 H CYS A 99 -5.829 -6.938 3.281 1.00 0.46 H new ATOM 0 HA CYS A 99 -5.791 -4.668 1.498 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -6.895 -4.772 4.305 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.424 -3.780 2.961 1.00 0.64 H new ATOM 0 HG CYS A 99 -7.988 -7.136 3.365 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.231 -3.077 2.589 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.286 -2.156 3.188 1.00 0.30 C ATOM 1571 C LEU A 100 -3.923 -1.524 4.404 1.00 0.29 C ATOM 1572 O LEU A 100 -5.032 -0.992 4.329 1.00 0.28 O ATOM 1573 CB LEU A 100 -2.862 -1.072 2.195 1.00 0.31 C ATOM 1574 CG LEU A 100 -1.958 0.026 2.759 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.640 -0.570 3.212 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.719 1.100 1.712 1.00 0.40 C ATOM 0 H LEU A 100 -4.552 -2.808 1.659 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.392 -2.708 3.477 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.346 -1.550 1.362 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -3.760 -0.606 1.789 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.451 0.482 3.617 1.00 0.33 H new ATOM 0 HD11 LEU A 100 -0.003 0.218 3.612 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -0.824 -1.315 3.986 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -0.144 -1.043 2.364 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -1.074 1.875 2.126 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -1.239 0.657 0.839 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.672 1.540 1.418 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.232 -1.589 5.521 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.778 -1.088 6.760 1.00 0.32 C ATOM 1590 C ASN A 101 -2.993 0.133 7.192 1.00 0.30 C ATOM 1591 O ASN A 101 -1.932 0.024 7.820 1.00 0.35 O ATOM 1592 CB ASN A 101 -3.721 -2.168 7.845 1.00 0.38 C ATOM 1593 CG ASN A 101 -4.388 -1.742 9.140 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -5.565 -2.012 9.355 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -3.646 -1.071 10.009 1.00 0.89 N ATOM 0 H ASN A 101 -2.294 -1.983 5.595 1.00 0.30 H new ATOM 0 HA ASN A 101 -4.822 -0.813 6.609 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -4.203 -3.073 7.475 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -2.680 -2.420 8.045 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -4.051 -0.760 10.892 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -2.670 -0.865 9.795 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.505 1.292 6.844 1.00 0.26 N ATOM 1603 CA VAL A 102 -2.848 2.534 7.195 1.00 0.25 C ATOM 1604 C VAL A 102 -3.501 3.144 8.424 1.00 0.32 C ATOM 1605 O VAL A 102 -4.607 2.757 8.808 1.00 0.36 O ATOM 1606 CB VAL A 102 -2.844 3.546 6.028 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -1.989 3.038 4.885 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -4.250 3.823 5.541 1.00 0.22 C ATOM 0 H VAL A 102 -4.373 1.402 6.319 1.00 0.26 H new ATOM 0 HA VAL A 102 -1.807 2.299 7.418 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.420 4.479 6.399 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.999 3.765 4.073 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -0.966 2.895 5.232 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.387 2.088 4.527 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -4.216 4.539 4.720 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.705 2.895 5.195 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -4.843 4.235 6.357 1.00 0.22 H new ATOM 1618 N GLY A 103 -2.805 4.078 9.043 1.00 0.38 N ATOM 1619 CA GLY A 103 -3.278 4.672 10.271 1.00 0.50 C ATOM 1620 C GLY A 103 -2.749 3.931 11.477 1.00 0.65 C ATOM 1621 O GLY A 103 -1.834 3.117 11.358 1.00 0.90 O ATOM 0 H GLY A 103 -1.910 4.440 8.713 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -2.966 5.715 10.317 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -4.368 4.664 10.285 1.00 0.50 H new ATOM 1625 N SER A 104 -3.315 4.205 12.636 1.00 0.67 N ATOM 1626 CA SER A 104 -2.908 3.534 13.859 1.00 0.79 C ATOM 1627 C SER A 104 -3.801 2.322 14.094 1.00 0.79 C ATOM 1628 O SER A 104 -4.948 2.300 13.663 1.00 0.74 O ATOM 1629 CB SER A 104 -2.992 4.507 15.037 1.00 0.99 C ATOM 1630 OG SER A 104 -2.155 5.635 14.827 1.00 1.69 O ATOM 0 H SER A 104 -4.061 4.890 12.758 1.00 0.67 H new ATOM 0 HA SER A 104 -1.876 3.195 13.767 1.00 0.79 H new ATOM 0 HB2 SER A 104 -4.023 4.835 15.170 1.00 0.99 H new ATOM 0 HB3 SER A 104 -2.699 3.998 15.955 1.00 0.99 H new ATOM 0 HG SER A 104 -2.227 6.243 15.592 1.00 1.69 H new ATOM 1636 N SER A 105 -3.275 1.322 14.794 1.00 0.95 N ATOM 1637 CA SER A 105 -3.959 0.040 14.956 1.00 1.05 C ATOM 1638 C SER A 105 -5.255 0.164 15.766 1.00 1.13 C ATOM 1639 O SER A 105 -6.012 -0.799 15.884 1.00 1.21 O ATOM 1640 CB SER A 105 -3.007 -0.972 15.596 1.00 1.24 C ATOM 1641 OG SER A 105 -2.302 -0.391 16.678 1.00 1.56 O ATOM 0 H SER A 105 -2.370 1.374 15.262 1.00 0.95 H new ATOM 0 HA SER A 105 -4.249 -0.311 13.966 1.00 1.05 H new ATOM 0 HB2 SER A 105 -3.571 -1.836 15.947 1.00 1.24 H new ATOM 0 HB3 SER A 105 -2.300 -1.335 14.849 1.00 1.24 H new ATOM 0 HG SER A 105 -1.701 -1.057 17.072 1.00 1.56 H new ATOM 1647 N ILE A 106 -5.499 1.344 16.325 1.00 1.17 N ATOM 1648 CA ILE A 106 -6.745 1.614 17.030 1.00 1.29 C ATOM 1649 C ILE A 106 -7.874 1.913 16.041 1.00 1.21 C ATOM 1650 O ILE A 106 -9.039 1.622 16.308 1.00 1.34 O ATOM 1651 CB ILE A 106 -6.600 2.787 18.023 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -6.055 4.032 17.309 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -5.694 2.384 19.181 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -5.957 5.251 18.200 1.00 1.65 C ATOM 0 H ILE A 106 -4.849 2.130 16.303 1.00 1.17 H new ATOM 0 HA ILE A 106 -6.991 0.717 17.597 1.00 1.29 H new ATOM 0 HB ILE A 106 -7.583 3.032 18.424 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -5.067 3.806 16.907 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -6.699 4.264 16.460 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -5.598 3.219 19.876 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -6.125 1.528 19.700 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -4.709 2.117 18.797 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -5.564 6.090 17.626 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -6.946 5.503 18.581 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -5.290 5.038 19.035 1.00 1.65 H new ATOM 1666 N LYS A 107 -7.521 2.495 14.902 1.00 1.03 N ATOM 1667 CA LYS A 107 -8.479 2.754 13.838 1.00 0.98 C ATOM 1668 C LYS A 107 -7.860 2.426 12.492 1.00 0.82 C ATOM 1669 O LYS A 107 -7.012 3.162 11.988 1.00 0.77 O ATOM 1670 CB LYS A 107 -8.956 4.209 13.860 1.00 1.09 C ATOM 1671 CG LYS A 107 -10.267 4.411 14.608 1.00 1.56 C ATOM 1672 CD LYS A 107 -11.392 3.592 13.991 1.00 1.87 C ATOM 1673 CE LYS A 107 -11.645 3.982 12.540 1.00 1.81 C ATOM 1674 NZ LYS A 107 -12.662 3.105 11.898 1.00 2.29 N ATOM 0 H LYS A 107 -6.570 2.798 14.692 1.00 1.03 H new ATOM 0 HA LYS A 107 -9.347 2.115 14.001 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -8.186 4.828 14.320 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -9.075 4.559 12.835 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -10.139 4.127 15.652 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -10.535 5.467 14.596 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -11.142 2.532 14.044 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -12.305 3.734 14.570 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -11.980 5.018 12.496 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -10.711 3.925 11.981 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -12.805 3.403 10.912 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -12.332 2.119 11.917 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -13.561 3.179 12.416 1.00 2.29 H new ATOM 1688 N SER A 108 -8.304 1.330 11.912 1.00 0.80 N ATOM 1689 CA SER A 108 -7.707 0.804 10.704 1.00 0.69 C ATOM 1690 C SER A 108 -8.321 1.420 9.450 1.00 0.60 C ATOM 1691 O SER A 108 -9.538 1.372 9.253 1.00 0.74 O ATOM 1692 CB SER A 108 -7.884 -0.714 10.695 1.00 0.78 C ATOM 1693 OG SER A 108 -9.194 -1.072 11.121 1.00 1.43 O ATOM 0 H SER A 108 -9.087 0.780 12.265 1.00 0.80 H new ATOM 0 HA SER A 108 -6.648 1.061 10.695 1.00 0.69 H new ATOM 0 HB2 SER A 108 -7.705 -1.100 9.691 1.00 0.78 H new ATOM 0 HB3 SER A 108 -7.145 -1.175 11.350 1.00 0.78 H new ATOM 0 HG SER A 108 -9.844 -0.442 10.745 1.00 1.43 H new ATOM 1699 N ILE A 109 -7.480 2.018 8.615 1.00 0.44 N ATOM 1700 CA ILE A 109 -7.913 2.457 7.300 1.00 0.39 C ATOM 1701 C ILE A 109 -7.499 1.404 6.288 1.00 0.35 C ATOM 1702 O ILE A 109 -6.308 1.216 6.035 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.272 3.789 6.883 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -7.067 4.712 8.081 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.130 4.479 5.832 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -6.038 5.785 7.810 1.00 0.42 C ATOM 0 H ILE A 109 -6.500 2.208 8.826 1.00 0.44 H new ATOM 0 HA ILE A 109 -8.993 2.598 7.336 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.292 3.568 6.459 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -8.016 5.180 8.343 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -6.755 4.122 8.942 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -7.665 5.422 5.545 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.219 3.837 4.956 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.121 4.673 6.242 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -5.929 6.415 8.692 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.081 5.320 7.575 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -6.362 6.395 6.966 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.465 0.711 5.724 1.00 0.36 N ATOM 1719 CA LEU A 110 -8.161 -0.396 4.839 1.00 0.31 C ATOM 1720 C LEU A 110 -8.383 -0.027 3.375 1.00 0.31 C ATOM 1721 O LEU A 110 -9.466 0.422 2.985 1.00 0.37 O ATOM 1722 CB LEU A 110 -8.993 -1.617 5.220 1.00 0.34 C ATOM 1723 CG LEU A 110 -8.673 -2.206 6.595 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -9.596 -3.369 6.907 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -7.221 -2.651 6.650 1.00 0.83 C ATOM 0 H LEU A 110 -9.460 0.891 5.860 1.00 0.36 H new ATOM 0 HA LEU A 110 -7.104 -0.637 4.955 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -10.048 -1.343 5.194 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.845 -2.390 4.466 1.00 0.34 H new ATOM 0 HG LEU A 110 -8.831 -1.434 7.348 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -9.352 -3.774 7.889 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -10.630 -3.024 6.903 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.470 -4.146 6.153 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -7.005 -3.068 7.634 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -7.044 -3.409 5.887 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -6.571 -1.795 6.469 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.334 -0.207 2.582 1.00 0.28 N ATOM 1738 CA LEU A 111 -7.373 0.075 1.144 1.00 0.30 C ATOM 1739 C LEU A 111 -6.372 -0.817 0.406 1.00 0.30 C ATOM 1740 O LEU A 111 -5.380 -1.217 0.972 1.00 0.61 O ATOM 1741 CB LEU A 111 -7.046 1.556 0.882 1.00 0.52 C ATOM 1742 CG LEU A 111 -5.893 2.124 1.716 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -4.999 3.024 0.879 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -6.430 2.903 2.904 1.00 0.62 C ATOM 0 H LEU A 111 -6.432 -0.551 2.912 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.377 -0.135 0.775 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -6.804 1.677 -0.174 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -7.940 2.149 1.075 1.00 0.52 H new ATOM 0 HG LEU A 111 -5.300 1.283 2.074 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -4.190 3.412 1.499 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -4.580 2.452 0.051 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -5.585 3.855 0.486 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -5.598 3.299 3.485 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -7.049 3.727 2.549 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -7.029 2.243 3.531 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.630 -1.167 -0.860 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.685 -1.954 -1.669 1.00 0.33 C ATOM 1758 C PRO A 112 -4.542 -1.093 -2.208 1.00 0.32 C ATOM 1759 O PRO A 112 -4.734 0.078 -2.538 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.559 -2.457 -2.815 1.00 0.35 C ATOM 1761 CG PRO A 112 -7.607 -1.408 -2.975 1.00 0.81 C ATOM 1762 CD PRO A 112 -7.858 -0.841 -1.602 1.00 0.64 C ATOM 0 HA PRO A 112 -5.203 -2.747 -1.097 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -5.980 -2.582 -3.730 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -7.000 -3.426 -2.582 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -7.275 -0.629 -3.661 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.520 -1.832 -3.392 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -8.030 0.235 -1.638 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.737 -1.289 -1.138 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.363 -1.695 -2.322 1.00 0.33 N ATOM 1771 CA ILE A 113 -2.147 -0.965 -2.673 1.00 0.29 C ATOM 1772 C ILE A 113 -2.131 -0.535 -4.153 1.00 0.30 C ATOM 1773 O ILE A 113 -1.295 0.270 -4.561 1.00 0.28 O ATOM 1774 CB ILE A 113 -0.889 -1.810 -2.346 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.382 -0.972 -2.479 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -0.813 -3.041 -3.235 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.565 0.030 -1.361 1.00 0.25 C ATOM 0 H ILE A 113 -3.222 -2.695 -2.175 1.00 0.33 H new ATOM 0 HA ILE A 113 -2.135 -0.057 -2.070 1.00 0.29 H new ATOM 0 HB ILE A 113 -0.971 -2.143 -1.311 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.245 -1.637 -2.505 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.360 -0.442 -3.431 1.00 0.26 H new ATOM 0 HG21 ILE A 113 0.079 -3.616 -2.985 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.698 -3.658 -3.079 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -0.765 -2.733 -4.279 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.487 0.589 -1.521 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.279 0.719 -1.348 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.619 -0.495 -0.407 1.00 0.25 H new ATOM 1789 N GLU A 114 -3.061 -1.062 -4.949 1.00 0.36 N ATOM 1790 CA GLU A 114 -3.172 -0.681 -6.361 1.00 0.42 C ATOM 1791 C GLU A 114 -3.437 0.823 -6.497 1.00 0.33 C ATOM 1792 O GLU A 114 -2.967 1.465 -7.433 1.00 0.41 O ATOM 1793 CB GLU A 114 -4.278 -1.505 -7.056 1.00 0.57 C ATOM 1794 CG GLU A 114 -4.674 -1.006 -8.444 1.00 0.72 C ATOM 1795 CD GLU A 114 -3.534 -0.991 -9.446 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -2.986 -2.075 -9.746 1.00 1.87 O ATOM 1797 OE2 GLU A 114 -3.165 0.096 -9.919 1.00 1.90 O ATOM 0 H GLU A 114 -3.747 -1.752 -4.644 1.00 0.36 H new ATOM 0 HA GLU A 114 -2.225 -0.899 -6.855 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -3.943 -2.539 -7.139 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -5.163 -1.507 -6.420 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -5.475 -1.637 -8.830 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -5.078 0.002 -8.354 1.00 0.72 H new ATOM 1804 N LEU A 115 -4.133 1.389 -5.524 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.486 2.804 -5.565 1.00 0.24 C ATOM 1806 C LEU A 115 -3.495 3.640 -4.769 1.00 0.21 C ATOM 1807 O LEU A 115 -3.793 4.767 -4.369 1.00 0.29 O ATOM 1808 CB LEU A 115 -5.899 3.020 -5.026 1.00 0.30 C ATOM 1809 CG LEU A 115 -7.026 2.590 -5.964 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -8.376 2.750 -5.282 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -6.979 3.407 -7.246 1.00 1.03 C ATOM 0 H LEU A 115 -4.465 0.894 -4.697 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.450 3.125 -6.606 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -6.000 2.474 -4.088 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -6.024 4.078 -4.794 1.00 0.30 H new ATOM 0 HG LEU A 115 -6.890 1.538 -6.214 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -9.167 2.439 -5.964 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -8.406 2.131 -4.385 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -8.523 3.794 -5.007 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -7.786 3.093 -7.908 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -7.096 4.464 -7.008 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -6.021 3.250 -7.742 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.316 3.091 -4.541 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.301 3.782 -3.772 1.00 0.23 C ATOM 1825 C CYS A 116 -0.025 3.945 -4.585 1.00 0.22 C ATOM 1826 O CYS A 116 0.382 3.046 -5.319 1.00 0.25 O ATOM 1827 CB CYS A 116 -1.010 3.017 -2.484 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.483 2.648 -1.505 1.00 0.37 S ATOM 0 H CYS A 116 -2.039 2.169 -4.878 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.675 4.774 -3.520 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.508 2.082 -2.733 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.317 3.599 -1.876 1.00 0.25 H new ATOM 0 HG CYS A 116 -2.286 3.009 -0.272 1.00 0.37 H new ATOM 1834 N SER A 117 0.586 5.107 -4.474 1.00 0.24 N ATOM 1835 CA SER A 117 1.869 5.357 -5.098 1.00 0.24 C ATOM 1836 C SER A 117 2.895 5.683 -4.027 1.00 0.24 C ATOM 1837 O SER A 117 2.583 6.336 -3.038 1.00 0.25 O ATOM 1838 CB SER A 117 1.755 6.509 -6.095 1.00 0.29 C ATOM 1839 OG SER A 117 0.645 6.318 -6.953 1.00 0.63 O ATOM 0 H SER A 117 0.211 5.899 -3.953 1.00 0.24 H new ATOM 0 HA SER A 117 2.188 4.466 -5.639 1.00 0.24 H new ATOM 0 HB2 SER A 117 1.649 7.452 -5.559 1.00 0.29 H new ATOM 0 HB3 SER A 117 2.669 6.579 -6.684 1.00 0.29 H new ATOM 0 HG SER A 117 0.586 7.066 -7.584 1.00 0.63 H new ATOM 1845 N ILE A 118 4.109 5.229 -4.222 1.00 0.26 N ATOM 1846 CA ILE A 118 5.164 5.449 -3.264 1.00 0.28 C ATOM 1847 C ILE A 118 5.997 6.651 -3.700 1.00 0.34 C ATOM 1848 O ILE A 118 6.247 6.846 -4.893 1.00 0.36 O ATOM 1849 CB ILE A 118 6.047 4.184 -3.121 1.00 0.29 C ATOM 1850 CG1 ILE A 118 7.114 4.391 -2.051 1.00 0.29 C ATOM 1851 CG2 ILE A 118 6.689 3.821 -4.452 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.874 3.132 -1.687 1.00 0.31 C ATOM 0 H ILE A 118 4.393 4.699 -5.046 1.00 0.26 H new ATOM 0 HA ILE A 118 4.727 5.656 -2.287 1.00 0.28 H new ATOM 0 HB ILE A 118 5.408 3.357 -2.813 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.822 5.143 -2.399 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.641 4.790 -1.154 1.00 0.29 H new ATOM 0 HG21 ILE A 118 7.304 2.930 -4.328 1.00 0.39 H new ATOM 0 HG22 ILE A 118 5.911 3.625 -5.190 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.312 4.648 -4.793 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.614 3.362 -0.920 1.00 0.31 H new ATOM 0 HD12 ILE A 118 7.178 2.384 -1.307 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.377 2.742 -2.572 1.00 0.31 H new ATOM 1864 N GLU A 119 6.378 7.478 -2.738 1.00 0.41 N ATOM 1865 CA GLU A 119 7.091 8.712 -3.026 1.00 0.50 C ATOM 1866 C GLU A 119 8.495 8.392 -3.541 1.00 0.55 C ATOM 1867 O GLU A 119 9.326 7.834 -2.817 1.00 0.56 O ATOM 1868 CB GLU A 119 7.150 9.578 -1.764 1.00 0.60 C ATOM 1869 CG GLU A 119 7.144 11.075 -2.029 1.00 1.23 C ATOM 1870 CD GLU A 119 8.394 11.560 -2.729 1.00 1.69 C ATOM 1871 OE1 GLU A 119 8.423 11.555 -3.975 1.00 2.46 O ATOM 1872 OE2 GLU A 119 9.355 11.943 -2.041 1.00 2.02 O ATOM 0 H GLU A 119 6.204 7.315 -1.746 1.00 0.41 H new ATOM 0 HA GLU A 119 6.564 9.269 -3.801 1.00 0.50 H new ATOM 0 HB2 GLU A 119 6.300 9.330 -1.128 1.00 0.60 H new ATOM 0 HB3 GLU A 119 8.051 9.324 -1.205 1.00 0.60 H new ATOM 0 HG2 GLU A 119 6.274 11.327 -2.636 1.00 1.23 H new ATOM 0 HG3 GLU A 119 7.036 11.605 -1.083 1.00 1.23 H new ATOM 1879 N GLU A 120 8.744 8.756 -4.793 1.00 0.68 N ATOM 1880 CA GLU A 120 9.985 8.405 -5.474 1.00 0.84 C ATOM 1881 C GLU A 120 11.158 9.229 -4.964 1.00 0.98 C ATOM 1882 O GLU A 120 12.313 8.808 -5.053 1.00 1.08 O ATOM 1883 CB GLU A 120 9.823 8.603 -6.980 1.00 1.10 C ATOM 1884 CG GLU A 120 9.435 10.022 -7.368 1.00 1.26 C ATOM 1885 CD GLU A 120 9.163 10.167 -8.848 1.00 2.16 C ATOM 1886 OE1 GLU A 120 8.050 9.817 -9.291 1.00 2.92 O ATOM 1887 OE2 GLU A 120 10.063 10.629 -9.582 1.00 2.36 O ATOM 0 H GLU A 120 8.096 9.300 -5.363 1.00 0.68 H new ATOM 0 HA GLU A 120 10.199 7.357 -5.263 1.00 0.84 H new ATOM 0 HB2 GLU A 120 10.758 8.342 -7.475 1.00 1.10 H new ATOM 0 HB3 GLU A 120 9.064 7.913 -7.349 1.00 1.10 H new ATOM 0 HG2 GLU A 120 8.547 10.318 -6.809 1.00 1.26 H new ATOM 0 HG3 GLU A 120 10.235 10.705 -7.081 1.00 1.26 H new