USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 603 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 152 HIS : no HD1:sc= -10.4! C(o=-15!,f=-15!) USER MOD Set 1.2: A 153 ASN : amide:sc= -4.3! K(o=-15!,f=-10) USER MOD Set 2.1: A 140 SER OG : rot -101:sc= 1.32 USER MOD Set 2.2: A 142 SER OG : rot 180:sc= 1.07 USER MOD Set 3.1: A 119 THR OG1 : rot 125:sc= -1.41 USER MOD Set 3.2: A 122 GLN : amide:sc= -0.557! C(o=-2!,f=-12!) USER MOD Set 4.1: A 107 SER OG : rot 180:sc= 0.0461 USER MOD Set 4.2: A 159 LYS NZ :NH3+ -122:sc= 0.0483 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 156:sc= -0.0361 USER MOD Single : A 108 GLN : amide:sc=-0.00484 X(o=-0.0048,f=-0.39) USER MOD Single : A 112 SER OG : rot 99:sc= 1.14 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -60:sc= -3.26! USER MOD Single : A 127 MET CE :methyl 177:sc= 0 (180deg=-0.000805) USER MOD Single : A 130 THR OG1 : rot 161:sc= 1.66 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ -161:sc= -0.184 (180deg=-0.907) USER MOD Single : A 141 ASN : amide:sc= -2.59! C(o=-2.6!,f=-7.7!) USER MOD Single : A 143 SER OG : rot -47:sc= 0.968 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.0597 K(o=-0.06,f=-2.5!) USER MOD Single : A 149 SER OG : rot -99:sc= 0.9 USER MOD Single : A 155 SER OG : rot 86:sc= 1.27 USER MOD Single : A 157 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.35) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ -136:sc= 1.39 (180deg=-0.965) USER MOD Single : A 164 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-3.6!) USER MOD Single : A 165 ASN : amide:sc= -6.17! C(o=-6.2!,f=-6.7!) USER MOD Single : A 171 SER OG : rot -34:sc= -0.935 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 175 MET CE :methyl -135:sc= -1.35 (180deg=-5.63!) USER MOD Single : A 177 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -8.123 11.316 4.762 1.00 0.00 N ATOM 130 CA GLN A 100 -8.213 9.848 5.046 1.00 0.00 C ATOM 131 C GLN A 100 -6.907 9.349 5.675 1.00 0.00 C ATOM 132 O GLN A 100 -5.911 10.047 5.695 1.00 0.00 O ATOM 133 CB GLN A 100 -8.487 9.094 3.741 1.00 0.00 C ATOM 134 CG GLN A 100 -7.360 9.351 2.736 1.00 0.00 C ATOM 135 CD GLN A 100 -7.860 9.014 1.331 1.00 0.00 C ATOM 136 OE1 GLN A 100 -8.115 9.896 0.538 1.00 0.00 O ATOM 137 NE2 GLN A 100 -8.023 7.765 0.992 1.00 0.00 N ATOM 0 HA GLN A 100 -9.028 9.668 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.570 8.026 3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.440 9.415 3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.044 10.393 2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.490 8.742 2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.809 7.023 1.659 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.365 7.530 0.060 1.00 0.00 H new ATOM 146 N SER A 101 -6.910 8.150 6.207 1.00 0.00 N ATOM 147 CA SER A 101 -5.676 7.610 6.858 1.00 0.00 C ATOM 148 C SER A 101 -4.929 6.672 5.903 1.00 0.00 C ATOM 149 O SER A 101 -5.447 6.251 4.890 1.00 0.00 O ATOM 150 CB SER A 101 -6.066 6.846 8.123 1.00 0.00 C ATOM 151 OG SER A 101 -6.700 5.626 7.764 1.00 0.00 O ATOM 0 H SER A 101 -7.714 7.523 6.218 1.00 0.00 H new ATOM 0 HA SER A 101 -5.019 8.442 7.113 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.181 6.644 8.726 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.737 7.451 8.734 1.00 0.00 H new ATOM 0 HG SER A 101 -6.948 5.135 8.575 1.00 0.00 H new ATOM 157 N TYR A 102 -3.699 6.363 6.222 1.00 0.00 N ATOM 158 CA TYR A 102 -2.879 5.475 5.345 1.00 0.00 C ATOM 159 C TYR A 102 -3.410 4.038 5.345 1.00 0.00 C ATOM 160 O TYR A 102 -3.482 3.402 4.314 1.00 0.00 O ATOM 161 CB TYR A 102 -1.434 5.476 5.853 1.00 0.00 C ATOM 162 CG TYR A 102 -0.757 6.755 5.432 1.00 0.00 C ATOM 163 CD1 TYR A 102 -0.816 7.881 6.261 1.00 0.00 C ATOM 164 CD2 TYR A 102 -0.073 6.819 4.210 1.00 0.00 C ATOM 165 CE1 TYR A 102 -0.190 9.071 5.871 1.00 0.00 C ATOM 166 CE2 TYR A 102 0.552 8.009 3.821 1.00 0.00 C ATOM 167 CZ TYR A 102 0.494 9.135 4.652 1.00 0.00 C ATOM 168 OH TYR A 102 1.110 10.310 4.269 1.00 0.00 O ATOM 0 H TYR A 102 -3.223 6.692 7.062 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.932 5.855 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.418 5.384 6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.895 4.617 5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.344 7.832 7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.028 5.951 3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.235 9.940 6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.079 8.059 2.880 1.00 0.00 H new ATOM 0 HH TYR A 102 1.831 10.110 3.636 1.00 0.00 H new ATOM 178 N ALA A 103 -3.763 3.505 6.482 1.00 0.00 N ATOM 179 CA ALA A 103 -4.256 2.099 6.504 1.00 0.00 C ATOM 180 C ALA A 103 -5.366 1.929 5.467 1.00 0.00 C ATOM 181 O ALA A 103 -5.472 0.903 4.827 1.00 0.00 O ATOM 182 CB ALA A 103 -4.782 1.750 7.898 1.00 0.00 C ATOM 0 H ALA A 103 -3.732 3.975 7.387 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.433 1.426 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.140 0.721 7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.980 1.860 8.628 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.601 2.421 8.156 1.00 0.00 H new ATOM 188 N GLU A 104 -6.191 2.923 5.288 1.00 0.00 N ATOM 189 CA GLU A 104 -7.283 2.804 4.281 1.00 0.00 C ATOM 190 C GLU A 104 -6.687 2.804 2.865 1.00 0.00 C ATOM 191 O GLU A 104 -7.093 2.037 2.015 1.00 0.00 O ATOM 192 CB GLU A 104 -8.256 3.972 4.444 1.00 0.00 C ATOM 193 CG GLU A 104 -9.012 3.814 5.764 1.00 0.00 C ATOM 194 CD GLU A 104 -10.025 4.948 5.924 1.00 0.00 C ATOM 195 OE1 GLU A 104 -9.923 5.917 5.190 1.00 0.00 O ATOM 196 OE2 GLU A 104 -10.889 4.828 6.779 1.00 0.00 O ATOM 0 H GLU A 104 -6.157 3.809 5.793 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.820 1.868 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.714 4.917 4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.957 3.996 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.524 2.852 5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.310 3.822 6.598 1.00 0.00 H new ATOM 203 N LEU A 105 -5.721 3.654 2.605 1.00 0.00 N ATOM 204 CA LEU A 105 -5.107 3.689 1.242 1.00 0.00 C ATOM 205 C LEU A 105 -4.397 2.361 0.961 1.00 0.00 C ATOM 206 O LEU A 105 -4.430 1.857 -0.144 1.00 0.00 O ATOM 207 CB LEU A 105 -4.085 4.833 1.148 1.00 0.00 C ATOM 208 CG LEU A 105 -4.798 6.172 0.911 1.00 0.00 C ATOM 209 CD1 LEU A 105 -3.863 7.322 1.297 1.00 0.00 C ATOM 210 CD2 LEU A 105 -5.166 6.314 -0.570 1.00 0.00 C ATOM 0 H LEU A 105 -5.335 4.320 3.274 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.897 3.850 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.501 4.883 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.385 4.638 0.335 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.703 6.203 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.368 8.273 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.594 7.235 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.961 7.278 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.671 7.266 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.260 6.278 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.829 5.499 -0.860 1.00 0.00 H new ATOM 222 N ILE A 106 -3.750 1.791 1.941 1.00 0.00 N ATOM 223 CA ILE A 106 -3.045 0.502 1.695 1.00 0.00 C ATOM 224 C ILE A 106 -4.048 -0.521 1.166 1.00 0.00 C ATOM 225 O ILE A 106 -3.775 -1.241 0.226 1.00 0.00 O ATOM 226 CB ILE A 106 -2.420 -0.018 2.991 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.366 0.985 3.480 1.00 0.00 C ATOM 228 CG2 ILE A 106 -1.767 -1.380 2.729 1.00 0.00 C ATOM 229 CD1 ILE A 106 -0.808 0.541 4.835 1.00 0.00 C ATOM 0 H ILE A 106 -3.679 2.157 2.890 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.253 0.661 0.964 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.189 -0.133 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.558 1.060 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.809 1.977 3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.321 -1.753 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.522 -2.085 2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.993 -1.272 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.061 1.259 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.618 0.489 5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.347 -0.442 4.734 1.00 0.00 H new ATOM 241 N SER A 107 -5.210 -0.586 1.749 1.00 0.00 N ATOM 242 CA SER A 107 -6.219 -1.556 1.257 1.00 0.00 C ATOM 243 C SER A 107 -6.508 -1.258 -0.215 1.00 0.00 C ATOM 244 O SER A 107 -6.635 -2.150 -1.026 1.00 0.00 O ATOM 245 CB SER A 107 -7.503 -1.424 2.080 1.00 0.00 C ATOM 246 OG SER A 107 -7.174 -1.447 3.463 1.00 0.00 O ATOM 0 H SER A 107 -5.502 -0.012 2.540 1.00 0.00 H new ATOM 0 HA SER A 107 -5.841 -2.573 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.015 -0.495 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.187 -2.239 1.843 1.00 0.00 H new ATOM 0 HG SER A 107 -7.992 -1.361 3.995 1.00 0.00 H new ATOM 252 N GLN A 108 -6.600 -0.005 -0.566 1.00 0.00 N ATOM 253 CA GLN A 108 -6.871 0.353 -1.989 1.00 0.00 C ATOM 254 C GLN A 108 -5.750 -0.176 -2.886 1.00 0.00 C ATOM 255 O GLN A 108 -5.991 -0.667 -3.971 1.00 0.00 O ATOM 256 CB GLN A 108 -6.936 1.877 -2.133 1.00 0.00 C ATOM 257 CG GLN A 108 -8.071 2.440 -1.278 1.00 0.00 C ATOM 258 CD GLN A 108 -9.402 2.280 -2.013 1.00 0.00 C ATOM 259 OE1 GLN A 108 -9.993 1.220 -2.000 1.00 0.00 O ATOM 260 NE2 GLN A 108 -9.901 3.298 -2.661 1.00 0.00 N ATOM 0 H GLN A 108 -6.500 0.787 0.069 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.820 -0.092 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.988 2.319 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.091 2.145 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.109 1.921 -0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.888 3.493 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -9.404 4.189 -2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -10.788 3.202 -3.156 1.00 0.00 H new ATOM 269 N ALA A 109 -4.523 -0.061 -2.455 1.00 0.00 N ATOM 270 CA ALA A 109 -3.388 -0.538 -3.298 1.00 0.00 C ATOM 271 C ALA A 109 -3.540 -2.027 -3.613 1.00 0.00 C ATOM 272 O ALA A 109 -3.522 -2.429 -4.758 1.00 0.00 O ATOM 273 CB ALA A 109 -2.067 -0.302 -2.558 1.00 0.00 C ATOM 0 H ALA A 109 -4.257 0.342 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.390 0.018 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.238 -0.650 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.948 0.763 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.075 -0.850 -1.616 1.00 0.00 H new ATOM 279 N ILE A 110 -3.679 -2.854 -2.613 1.00 0.00 N ATOM 280 CA ILE A 110 -3.819 -4.313 -2.886 1.00 0.00 C ATOM 281 C ILE A 110 -5.146 -4.578 -3.596 1.00 0.00 C ATOM 282 O ILE A 110 -5.219 -5.354 -4.527 1.00 0.00 O ATOM 283 CB ILE A 110 -3.760 -5.093 -1.571 1.00 0.00 C ATOM 284 CG1 ILE A 110 -2.437 -4.762 -0.861 1.00 0.00 C ATOM 285 CG2 ILE A 110 -3.831 -6.592 -1.868 1.00 0.00 C ATOM 286 CD1 ILE A 110 -2.238 -5.665 0.366 1.00 0.00 C ATOM 0 H ILE A 110 -3.702 -2.587 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.002 -4.641 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.598 -4.818 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.605 -4.892 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.435 -3.716 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -3.789 -7.151 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.765 -6.817 -2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.990 -6.878 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.296 -5.414 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.060 -5.514 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.217 -6.708 0.050 1.00 0.00 H new ATOM 298 N GLU A 111 -6.197 -3.942 -3.168 1.00 0.00 N ATOM 299 CA GLU A 111 -7.515 -4.166 -3.820 1.00 0.00 C ATOM 300 C GLU A 111 -7.452 -3.770 -5.301 1.00 0.00 C ATOM 301 O GLU A 111 -8.173 -4.301 -6.122 1.00 0.00 O ATOM 302 CB GLU A 111 -8.583 -3.341 -3.100 1.00 0.00 C ATOM 303 CG GLU A 111 -8.845 -3.946 -1.718 1.00 0.00 C ATOM 304 CD GLU A 111 -9.895 -3.112 -0.983 1.00 0.00 C ATOM 305 OE1 GLU A 111 -10.961 -2.910 -1.541 1.00 0.00 O ATOM 306 OE2 GLU A 111 -9.619 -2.694 0.129 1.00 0.00 O ATOM 0 H GLU A 111 -6.201 -3.277 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.770 -5.224 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.254 -2.307 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.503 -3.328 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.190 -4.975 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.920 -3.975 -1.141 1.00 0.00 H new ATOM 313 N SER A 112 -6.605 -2.839 -5.654 1.00 0.00 N ATOM 314 CA SER A 112 -6.520 -2.418 -7.084 1.00 0.00 C ATOM 315 C SER A 112 -5.698 -3.434 -7.885 1.00 0.00 C ATOM 316 O SER A 112 -5.804 -3.516 -9.094 1.00 0.00 O ATOM 317 CB SER A 112 -5.856 -1.043 -7.168 1.00 0.00 C ATOM 318 OG SER A 112 -6.571 -0.131 -6.344 1.00 0.00 O ATOM 0 H SER A 112 -5.972 -2.354 -5.018 1.00 0.00 H new ATOM 0 HA SER A 112 -7.525 -2.368 -7.502 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.817 -1.107 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.848 -0.691 -8.200 1.00 0.00 H new ATOM 0 HG SER A 112 -6.112 -0.039 -5.483 1.00 0.00 H new ATOM 324 N ALA A 113 -4.875 -4.202 -7.229 1.00 0.00 N ATOM 325 CA ALA A 113 -4.048 -5.206 -7.961 1.00 0.00 C ATOM 326 C ALA A 113 -4.941 -6.370 -8.428 1.00 0.00 C ATOM 327 O ALA A 113 -5.674 -6.937 -7.644 1.00 0.00 O ATOM 328 CB ALA A 113 -2.956 -5.741 -7.025 1.00 0.00 C ATOM 0 H ALA A 113 -4.738 -4.180 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.588 -4.735 -8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.349 -6.475 -7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.323 -4.917 -6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.419 -6.212 -6.158 1.00 0.00 H new ATOM 334 N PRO A 114 -4.875 -6.739 -9.688 1.00 0.00 N ATOM 335 CA PRO A 114 -5.686 -7.865 -10.228 1.00 0.00 C ATOM 336 C PRO A 114 -5.760 -9.046 -9.250 1.00 0.00 C ATOM 337 O PRO A 114 -6.792 -9.324 -8.671 1.00 0.00 O ATOM 338 CB PRO A 114 -4.930 -8.265 -11.497 1.00 0.00 C ATOM 339 CG PRO A 114 -4.264 -7.013 -11.973 1.00 0.00 C ATOM 340 CD PRO A 114 -4.033 -6.130 -10.736 1.00 0.00 C ATOM 0 HA PRO A 114 -6.722 -7.578 -10.406 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -4.198 -9.045 -11.289 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -5.610 -8.660 -12.252 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.319 -7.242 -12.466 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.888 -6.498 -12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.982 -6.120 -10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.321 -5.096 -10.926 1.00 0.00 H new ATOM 348 N GLU A 115 -4.668 -9.738 -9.064 1.00 0.00 N ATOM 349 CA GLU A 115 -4.655 -10.901 -8.129 1.00 0.00 C ATOM 350 C GLU A 115 -4.938 -10.422 -6.707 1.00 0.00 C ATOM 351 O GLU A 115 -5.165 -11.210 -5.812 1.00 0.00 O ATOM 352 CB GLU A 115 -3.277 -11.562 -8.161 1.00 0.00 C ATOM 353 CG GLU A 115 -2.997 -12.102 -9.562 1.00 0.00 C ATOM 354 CD GLU A 115 -1.621 -12.772 -9.583 1.00 0.00 C ATOM 355 OE1 GLU A 115 -1.498 -13.846 -9.016 1.00 0.00 O ATOM 356 OE2 GLU A 115 -0.715 -12.203 -10.167 1.00 0.00 O ATOM 0 H GLU A 115 -3.778 -9.546 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.419 -11.615 -8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.510 -10.840 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.235 -12.372 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.767 -12.819 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -3.030 -11.291 -10.290 1.00 0.00 H new ATOM 363 N LYS A 116 -4.905 -9.136 -6.493 1.00 0.00 N ATOM 364 CA LYS A 116 -5.153 -8.587 -5.129 1.00 0.00 C ATOM 365 C LYS A 116 -4.008 -8.996 -4.201 1.00 0.00 C ATOM 366 O LYS A 116 -4.215 -9.548 -3.139 1.00 0.00 O ATOM 367 CB LYS A 116 -6.493 -9.094 -4.586 1.00 0.00 C ATOM 368 CG LYS A 116 -7.616 -8.622 -5.513 1.00 0.00 C ATOM 369 CD LYS A 116 -8.976 -8.959 -4.895 1.00 0.00 C ATOM 370 CE LYS A 116 -10.095 -8.603 -5.883 1.00 0.00 C ATOM 371 NZ LYS A 116 -10.338 -7.132 -5.862 1.00 0.00 N ATOM 0 H LYS A 116 -4.715 -8.436 -7.210 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.198 -7.499 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -6.487 -10.182 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.656 -8.719 -3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.537 -7.547 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.521 -9.101 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.021 -10.019 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.110 -8.408 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.820 -8.921 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.009 -9.136 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.097 -6.896 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.619 -6.840 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.467 -6.632 -6.134 1.00 0.00 H new ATOM 385 N ARG A 117 -2.797 -8.716 -4.605 1.00 0.00 N ATOM 386 CA ARG A 117 -1.611 -9.065 -3.777 1.00 0.00 C ATOM 387 C ARG A 117 -0.457 -8.143 -4.176 1.00 0.00 C ATOM 388 O ARG A 117 -0.290 -7.815 -5.336 1.00 0.00 O ATOM 389 CB ARG A 117 -1.196 -10.517 -4.043 1.00 0.00 C ATOM 390 CG ARG A 117 -2.323 -11.476 -3.651 1.00 0.00 C ATOM 391 CD ARG A 117 -1.774 -12.905 -3.636 1.00 0.00 C ATOM 392 NE ARG A 117 -1.256 -13.252 -4.988 1.00 0.00 N ATOM 393 CZ ARG A 117 -0.401 -14.230 -5.133 1.00 0.00 C ATOM 394 NH1 ARG A 117 0.062 -14.862 -4.087 1.00 0.00 N ATOM 395 NH2 ARG A 117 0.009 -14.558 -6.326 1.00 0.00 N ATOM 0 H ARG A 117 -2.579 -8.253 -5.487 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.854 -8.948 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.952 -10.645 -5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.295 -10.754 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.717 -11.213 -2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.149 -11.397 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.978 -12.992 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.558 -13.604 -3.345 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.569 -12.725 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -0.244 -14.593 -3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 117 0.729 -15.624 -4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -0.337 -14.052 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.676 -15.320 -6.444 1.00 0.00 H new ATOM 409 N LEU A 118 0.342 -7.717 -3.237 1.00 0.00 N ATOM 410 CA LEU A 118 1.477 -6.813 -3.588 1.00 0.00 C ATOM 411 C LEU A 118 2.652 -7.054 -2.647 1.00 0.00 C ATOM 412 O LEU A 118 2.480 -7.424 -1.503 1.00 0.00 O ATOM 413 CB LEU A 118 1.051 -5.350 -3.423 1.00 0.00 C ATOM 414 CG LEU A 118 0.097 -4.925 -4.540 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.357 -3.488 -4.268 1.00 0.00 C ATOM 416 CD2 LEU A 118 0.808 -4.987 -5.902 1.00 0.00 C ATOM 0 H LEU A 118 0.261 -7.953 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 118 1.764 -7.018 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.566 -5.216 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.932 -4.708 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.760 -5.598 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.039 -3.167 -5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.867 -3.444 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.511 -2.829 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.117 -4.682 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.668 -4.317 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.144 -6.006 -6.091 1.00 0.00 H new ATOM 428 N THR A 119 3.845 -6.801 -3.106 1.00 0.00 N ATOM 429 CA THR A 119 5.026 -6.963 -2.223 1.00 0.00 C ATOM 430 C THR A 119 5.236 -5.634 -1.495 1.00 0.00 C ATOM 431 O THR A 119 4.655 -4.629 -1.855 1.00 0.00 O ATOM 432 CB THR A 119 6.263 -7.317 -3.058 1.00 0.00 C ATOM 433 OG1 THR A 119 6.301 -6.500 -4.216 1.00 0.00 O ATOM 434 CG2 THR A 119 6.210 -8.793 -3.470 1.00 0.00 C ATOM 0 H THR A 119 4.051 -6.489 -4.055 1.00 0.00 H new ATOM 0 HA THR A 119 4.867 -7.769 -1.507 1.00 0.00 H new ATOM 0 HB THR A 119 7.160 -7.146 -2.462 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.160 -6.031 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.092 -9.037 -4.063 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.188 -9.419 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.313 -8.973 -4.063 1.00 0.00 H new ATOM 442 N LEU A 120 6.034 -5.611 -0.471 1.00 0.00 N ATOM 443 CA LEU A 120 6.243 -4.339 0.276 1.00 0.00 C ATOM 444 C LEU A 120 6.738 -3.249 -0.684 1.00 0.00 C ATOM 445 O LEU A 120 6.266 -2.130 -0.665 1.00 0.00 O ATOM 446 CB LEU A 120 7.281 -4.583 1.378 1.00 0.00 C ATOM 447 CG LEU A 120 7.522 -3.300 2.177 1.00 0.00 C ATOM 448 CD1 LEU A 120 6.210 -2.839 2.828 1.00 0.00 C ATOM 449 CD2 LEU A 120 8.572 -3.570 3.266 1.00 0.00 C ATOM 0 H LEU A 120 6.552 -6.415 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 120 5.305 -4.009 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.935 -5.374 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.217 -4.925 0.936 1.00 0.00 H new ATOM 0 HG LEU A 120 7.882 -2.518 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.387 -1.925 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.467 -2.647 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.843 -3.617 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.746 -2.658 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.211 -4.353 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.504 -3.891 2.801 1.00 0.00 H new ATOM 461 N ALA A 121 7.685 -3.566 -1.519 1.00 0.00 N ATOM 462 CA ALA A 121 8.213 -2.552 -2.477 1.00 0.00 C ATOM 463 C ALA A 121 7.099 -2.035 -3.399 1.00 0.00 C ATOM 464 O ALA A 121 7.067 -0.871 -3.748 1.00 0.00 O ATOM 465 CB ALA A 121 9.315 -3.188 -3.326 1.00 0.00 C ATOM 0 H ALA A 121 8.119 -4.487 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 121 8.611 -1.711 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.704 -2.451 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.121 -3.533 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.906 -4.034 -3.878 1.00 0.00 H new ATOM 471 N GLN A 122 6.200 -2.887 -3.816 1.00 0.00 N ATOM 472 CA GLN A 122 5.119 -2.437 -4.736 1.00 0.00 C ATOM 473 C GLN A 122 4.199 -1.440 -4.034 1.00 0.00 C ATOM 474 O GLN A 122 3.675 -0.532 -4.647 1.00 0.00 O ATOM 475 CB GLN A 122 4.315 -3.652 -5.196 1.00 0.00 C ATOM 476 CG GLN A 122 5.199 -4.525 -6.088 1.00 0.00 C ATOM 477 CD GLN A 122 4.480 -5.840 -6.398 1.00 0.00 C ATOM 478 OE1 GLN A 122 3.930 -6.468 -5.514 1.00 0.00 O ATOM 479 NE2 GLN A 122 4.457 -6.281 -7.626 1.00 0.00 N ATOM 0 H GLN A 122 6.169 -3.874 -3.559 1.00 0.00 H new ATOM 0 HA GLN A 122 5.566 -1.943 -5.598 1.00 0.00 H new ATOM 0 HB2 GLN A 122 3.969 -4.223 -4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.428 -3.332 -5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.430 -3.999 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.148 -4.727 -5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 122 4.919 -5.753 -8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 122 3.977 -7.154 -7.846 1.00 0.00 H new ATOM 488 N ILE A 123 3.994 -1.590 -2.759 1.00 0.00 N ATOM 489 CA ILE A 123 3.106 -0.634 -2.045 1.00 0.00 C ATOM 490 C ILE A 123 3.729 0.764 -2.074 1.00 0.00 C ATOM 491 O ILE A 123 3.068 1.734 -2.379 1.00 0.00 O ATOM 492 CB ILE A 123 2.910 -1.100 -0.602 1.00 0.00 C ATOM 493 CG1 ILE A 123 2.045 -2.362 -0.602 1.00 0.00 C ATOM 494 CG2 ILE A 123 2.212 -0.001 0.204 1.00 0.00 C ATOM 495 CD1 ILE A 123 2.076 -3.007 0.780 1.00 0.00 C ATOM 0 H ILE A 123 4.399 -2.327 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 123 2.135 -0.596 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 123 3.878 -1.314 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.020 -2.112 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.411 -3.065 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.074 -0.336 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.824 0.901 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.241 0.215 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.459 -3.905 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.102 -3.273 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.689 -2.304 1.518 1.00 0.00 H new ATOM 507 N TYR A 124 4.993 0.884 -1.771 1.00 0.00 N ATOM 508 CA TYR A 124 5.625 2.236 -1.798 1.00 0.00 C ATOM 509 C TYR A 124 5.491 2.831 -3.200 1.00 0.00 C ATOM 510 O TYR A 124 5.009 3.932 -3.372 1.00 0.00 O ATOM 511 CB TYR A 124 7.118 2.140 -1.460 1.00 0.00 C ATOM 512 CG TYR A 124 7.347 1.397 -0.159 1.00 0.00 C ATOM 513 CD1 TYR A 124 6.501 1.593 0.944 1.00 0.00 C ATOM 514 CD2 TYR A 124 8.433 0.519 -0.055 1.00 0.00 C ATOM 515 CE1 TYR A 124 6.743 0.908 2.140 1.00 0.00 C ATOM 516 CE2 TYR A 124 8.672 -0.164 1.141 1.00 0.00 C ATOM 517 CZ TYR A 124 7.828 0.031 2.238 1.00 0.00 C ATOM 518 OH TYR A 124 8.065 -0.641 3.419 1.00 0.00 O ATOM 0 H TYR A 124 5.610 0.115 -1.509 1.00 0.00 H new ATOM 0 HA TYR A 124 5.123 2.864 -1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.643 1.631 -2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 124 7.541 3.142 -1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.664 2.272 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.088 0.369 -0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.091 1.057 2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 124 9.509 -0.842 1.217 1.00 0.00 H new ATOM 0 HH TYR A 124 8.219 0.006 4.139 1.00 0.00 H new ATOM 528 N GLU A 125 5.928 2.118 -4.203 1.00 0.00 N ATOM 529 CA GLU A 125 5.840 2.652 -5.591 1.00 0.00 C ATOM 530 C GLU A 125 4.383 2.948 -5.953 1.00 0.00 C ATOM 531 O GLU A 125 4.079 3.948 -6.572 1.00 0.00 O ATOM 532 CB GLU A 125 6.403 1.617 -6.571 1.00 0.00 C ATOM 533 CG GLU A 125 7.914 1.477 -6.360 1.00 0.00 C ATOM 534 CD GLU A 125 8.517 0.634 -7.487 1.00 0.00 C ATOM 535 OE1 GLU A 125 8.659 1.154 -8.582 1.00 0.00 O ATOM 536 OE2 GLU A 125 8.824 -0.520 -7.237 1.00 0.00 O ATOM 0 H GLU A 125 6.342 1.189 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 125 6.417 3.575 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.914 0.655 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.196 1.922 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.381 2.462 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 125 8.114 1.009 -5.396 1.00 0.00 H new ATOM 543 N TRP A 126 3.482 2.085 -5.575 1.00 0.00 N ATOM 544 CA TRP A 126 2.047 2.311 -5.908 1.00 0.00 C ATOM 545 C TRP A 126 1.574 3.627 -5.289 1.00 0.00 C ATOM 546 O TRP A 126 0.989 4.461 -5.953 1.00 0.00 O ATOM 547 CB TRP A 126 1.215 1.156 -5.346 1.00 0.00 C ATOM 548 CG TRP A 126 -0.223 1.348 -5.700 1.00 0.00 C ATOM 549 CD1 TRP A 126 -0.801 0.917 -6.846 1.00 0.00 C ATOM 550 CD2 TRP A 126 -1.276 2.003 -4.931 1.00 0.00 C ATOM 551 NE1 TRP A 126 -2.139 1.267 -6.831 1.00 0.00 N ATOM 552 CE2 TRP A 126 -2.481 1.938 -5.672 1.00 0.00 C ATOM 553 CE3 TRP A 126 -1.305 2.641 -3.677 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -3.671 2.486 -5.186 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -2.501 3.193 -3.186 1.00 0.00 C ATOM 556 CH2 TRP A 126 -3.681 3.113 -3.940 1.00 0.00 C ATOM 0 H TRP A 126 3.677 1.233 -5.050 1.00 0.00 H new ATOM 0 HA TRP A 126 1.928 2.361 -6.990 1.00 0.00 H new ATOM 0 HB2 TRP A 126 1.574 0.208 -5.747 1.00 0.00 H new ATOM 0 HB3 TRP A 126 1.329 1.107 -4.263 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -0.299 0.387 -7.642 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -2.794 1.056 -7.584 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -0.402 2.707 -3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -4.577 2.425 -5.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -2.511 3.681 -2.223 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -4.597 3.537 -3.556 1.00 0.00 H new ATOM 567 N MET A 127 1.826 3.823 -4.027 1.00 0.00 N ATOM 568 CA MET A 127 1.388 5.087 -3.373 1.00 0.00 C ATOM 569 C MET A 127 1.888 6.279 -4.188 1.00 0.00 C ATOM 570 O MET A 127 1.161 7.218 -4.443 1.00 0.00 O ATOM 571 CB MET A 127 1.968 5.149 -1.956 1.00 0.00 C ATOM 572 CG MET A 127 1.355 4.034 -1.107 1.00 0.00 C ATOM 573 SD MET A 127 -0.361 4.456 -0.710 1.00 0.00 S ATOM 574 CE MET A 127 -0.427 3.682 0.926 1.00 0.00 C ATOM 0 H MET A 127 2.315 3.165 -3.420 1.00 0.00 H new ATOM 0 HA MET A 127 0.300 5.118 -3.321 1.00 0.00 H new ATOM 0 HB2 MET A 127 3.052 5.041 -1.990 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.758 6.120 -1.507 1.00 0.00 H new ATOM 0 HG2 MET A 127 1.393 3.088 -1.647 1.00 0.00 H new ATOM 0 HG3 MET A 127 1.930 3.901 -0.191 1.00 0.00 H new ATOM 0 HE1 MET A 127 -1.400 3.873 1.380 1.00 0.00 H new ATOM 0 HE2 MET A 127 -0.277 2.607 0.826 1.00 0.00 H new ATOM 0 HE3 MET A 127 0.356 4.100 1.558 1.00 0.00 H new ATOM 584 N VAL A 128 3.122 6.246 -4.604 1.00 0.00 N ATOM 585 CA VAL A 128 3.666 7.373 -5.411 1.00 0.00 C ATOM 586 C VAL A 128 3.034 7.366 -6.804 1.00 0.00 C ATOM 587 O VAL A 128 2.731 8.401 -7.364 1.00 0.00 O ATOM 588 CB VAL A 128 5.183 7.221 -5.547 1.00 0.00 C ATOM 589 CG1 VAL A 128 5.721 8.274 -6.520 1.00 0.00 C ATOM 590 CG2 VAL A 128 5.840 7.410 -4.179 1.00 0.00 C ATOM 0 H VAL A 128 3.778 5.487 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 128 3.434 8.313 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 128 5.413 6.226 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.801 8.164 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.255 8.139 -7.496 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.490 9.270 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.920 7.302 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.608 8.405 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 128 5.461 6.659 -3.486 1.00 0.00 H new ATOM 600 N ARG A 129 2.859 6.207 -7.378 1.00 0.00 N ATOM 601 CA ARG A 129 2.280 6.134 -8.749 1.00 0.00 C ATOM 602 C ARG A 129 0.815 6.579 -8.758 1.00 0.00 C ATOM 603 O ARG A 129 0.338 7.125 -9.734 1.00 0.00 O ATOM 604 CB ARG A 129 2.365 4.697 -9.272 1.00 0.00 C ATOM 605 CG ARG A 129 1.805 4.659 -10.696 1.00 0.00 C ATOM 606 CD ARG A 129 2.120 3.314 -11.355 1.00 0.00 C ATOM 607 NE ARG A 129 1.782 3.389 -12.802 1.00 0.00 N ATOM 608 CZ ARG A 129 2.297 2.533 -13.642 1.00 0.00 C ATOM 609 NH1 ARG A 129 3.130 1.624 -13.220 1.00 0.00 N ATOM 610 NH2 ARG A 129 1.981 2.593 -14.908 1.00 0.00 N ATOM 0 H ARG A 129 3.092 5.308 -6.957 1.00 0.00 H new ATOM 0 HA ARG A 129 2.854 6.804 -9.390 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.399 4.352 -9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.800 4.026 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.727 4.817 -10.674 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.235 5.470 -11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.175 3.071 -11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.549 2.518 -10.876 1.00 0.00 H new ATOM 0 HE ARG A 129 1.146 4.112 -13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.380 1.581 -12.232 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.532 0.956 -13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.333 3.308 -15.239 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.382 1.925 -15.566 1.00 0.00 H new ATOM 624 N THR A 130 0.081 6.327 -7.709 1.00 0.00 N ATOM 625 CA THR A 130 -1.358 6.719 -7.717 1.00 0.00 C ATOM 626 C THR A 130 -1.549 8.141 -7.184 1.00 0.00 C ATOM 627 O THR A 130 -2.193 8.962 -7.807 1.00 0.00 O ATOM 628 CB THR A 130 -2.156 5.736 -6.854 1.00 0.00 C ATOM 629 OG1 THR A 130 -1.593 4.437 -6.973 1.00 0.00 O ATOM 630 CG2 THR A 130 -3.610 5.704 -7.328 1.00 0.00 C ATOM 0 H THR A 130 0.409 5.873 -6.857 1.00 0.00 H new ATOM 0 HA THR A 130 -1.716 6.691 -8.746 1.00 0.00 H new ATOM 0 HB THR A 130 -2.120 6.056 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.887 3.883 -6.220 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.178 5.005 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.044 6.700 -7.239 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.646 5.384 -8.369 1.00 0.00 H new ATOM 638 N VAL A 131 -1.026 8.437 -6.030 1.00 0.00 N ATOM 639 CA VAL A 131 -1.221 9.802 -5.464 1.00 0.00 C ATOM 640 C VAL A 131 -0.119 10.753 -5.961 1.00 0.00 C ATOM 641 O VAL A 131 1.054 10.493 -5.774 1.00 0.00 O ATOM 642 CB VAL A 131 -1.172 9.718 -3.935 1.00 0.00 C ATOM 643 CG1 VAL A 131 -1.765 10.995 -3.328 1.00 0.00 C ATOM 644 CG2 VAL A 131 -1.978 8.500 -3.467 1.00 0.00 C ATOM 0 H VAL A 131 -0.475 7.799 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 131 -2.187 10.189 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.137 9.615 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.729 10.932 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.188 11.858 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.800 11.104 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.945 8.438 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.013 8.601 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.550 7.594 -3.895 1.00 0.00 H new ATOM 654 N PRO A 132 -0.490 11.858 -6.579 1.00 0.00 N ATOM 655 CA PRO A 132 0.493 12.861 -7.091 1.00 0.00 C ATOM 656 C PRO A 132 1.150 13.649 -5.953 1.00 0.00 C ATOM 657 O PRO A 132 2.204 14.233 -6.108 1.00 0.00 O ATOM 658 CB PRO A 132 -0.354 13.793 -7.962 1.00 0.00 C ATOM 659 CG PRO A 132 -1.735 13.696 -7.406 1.00 0.00 C ATOM 660 CD PRO A 132 -1.878 12.273 -6.860 1.00 0.00 C ATOM 0 HA PRO A 132 1.312 12.387 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.017 14.817 -7.920 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -0.328 13.487 -9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.890 14.433 -6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.480 13.893 -8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.491 12.251 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -2.353 11.613 -7.586 1.00 0.00 H new ATOM 668 N TYR A 133 0.520 13.667 -4.814 1.00 0.00 N ATOM 669 CA TYR A 133 1.071 14.411 -3.645 1.00 0.00 C ATOM 670 C TYR A 133 2.457 13.863 -3.289 1.00 0.00 C ATOM 671 O TYR A 133 3.350 14.601 -2.922 1.00 0.00 O ATOM 672 CB TYR A 133 0.115 14.223 -2.462 1.00 0.00 C ATOM 673 CG TYR A 133 0.462 15.170 -1.335 1.00 0.00 C ATOM 674 CD1 TYR A 133 0.294 16.551 -1.500 1.00 0.00 C ATOM 675 CD2 TYR A 133 0.926 14.664 -0.113 1.00 0.00 C ATOM 676 CE1 TYR A 133 0.599 17.424 -0.447 1.00 0.00 C ATOM 677 CE2 TYR A 133 1.227 15.535 0.939 1.00 0.00 C ATOM 678 CZ TYR A 133 1.063 16.915 0.774 1.00 0.00 C ATOM 679 OH TYR A 133 1.362 17.774 1.813 1.00 0.00 O ATOM 0 H TYR A 133 -0.365 13.192 -4.639 1.00 0.00 H new ATOM 0 HA TYR A 133 1.167 15.470 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.911 14.397 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 133 0.167 13.194 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -0.070 16.943 -2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.051 13.599 0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 133 0.477 18.489 -0.576 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.586 15.143 1.879 1.00 0.00 H new ATOM 0 HH TYR A 133 1.669 17.257 2.587 1.00 0.00 H new ATOM 689 N PHE A 134 2.645 12.572 -3.383 1.00 0.00 N ATOM 690 CA PHE A 134 3.970 11.988 -3.036 1.00 0.00 C ATOM 691 C PHE A 134 4.909 12.040 -4.252 1.00 0.00 C ATOM 692 O PHE A 134 6.104 11.878 -4.121 1.00 0.00 O ATOM 693 CB PHE A 134 3.789 10.531 -2.602 1.00 0.00 C ATOM 694 CG PHE A 134 2.988 10.465 -1.320 1.00 0.00 C ATOM 695 CD1 PHE A 134 1.609 10.706 -1.343 1.00 0.00 C ATOM 696 CD2 PHE A 134 3.622 10.151 -0.109 1.00 0.00 C ATOM 697 CE1 PHE A 134 0.865 10.635 -0.161 1.00 0.00 C ATOM 698 CE2 PHE A 134 2.876 10.081 1.073 1.00 0.00 C ATOM 699 CZ PHE A 134 1.498 10.322 1.047 1.00 0.00 C ATOM 0 H PHE A 134 1.939 11.900 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 134 4.407 12.566 -2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 134 3.281 9.970 -3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.763 10.063 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 134 1.119 10.947 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 134 4.685 9.963 -0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -0.199 10.822 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 134 3.364 9.841 2.006 1.00 0.00 H new ATOM 0 HZ PHE A 134 0.923 10.266 1.959 1.00 0.00 H new ATOM 709 N LYS A 135 4.391 12.253 -5.434 1.00 0.00 N ATOM 710 CA LYS A 135 5.286 12.298 -6.633 1.00 0.00 C ATOM 711 C LYS A 135 6.305 13.431 -6.492 1.00 0.00 C ATOM 712 O LYS A 135 7.448 13.297 -6.881 1.00 0.00 O ATOM 713 CB LYS A 135 4.457 12.507 -7.901 1.00 0.00 C ATOM 714 CG LYS A 135 3.698 11.222 -8.227 1.00 0.00 C ATOM 715 CD LYS A 135 3.073 11.342 -9.615 1.00 0.00 C ATOM 716 CE LYS A 135 2.267 10.081 -9.926 1.00 0.00 C ATOM 717 NZ LYS A 135 2.085 9.965 -11.399 1.00 0.00 N ATOM 0 H LYS A 135 3.399 12.396 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 135 5.817 11.349 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.757 13.330 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.106 12.780 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 135 4.375 10.368 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 135 2.923 11.045 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.427 12.219 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.852 11.482 -10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 135 2.783 9.201 -9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 135 1.297 10.124 -9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.537 9.108 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.576 10.800 -11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 3.015 9.906 -11.860 1.00 0.00 H new ATOM 731 N ASP A 136 5.907 14.540 -5.941 1.00 0.00 N ATOM 732 CA ASP A 136 6.866 15.668 -5.779 1.00 0.00 C ATOM 733 C ASP A 136 7.956 15.253 -4.790 1.00 0.00 C ATOM 734 O ASP A 136 9.080 15.708 -4.860 1.00 0.00 O ATOM 735 CB ASP A 136 6.131 16.903 -5.248 1.00 0.00 C ATOM 736 CG ASP A 136 6.980 18.153 -5.500 1.00 0.00 C ATOM 737 OD1 ASP A 136 7.236 18.449 -6.656 1.00 0.00 O ATOM 738 OD2 ASP A 136 7.364 18.788 -4.532 1.00 0.00 O ATOM 0 H ASP A 136 4.963 14.716 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 136 7.314 15.911 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 136 5.164 17.003 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 136 5.936 16.792 -4.181 1.00 0.00 H new ATOM 743 N LYS A 137 7.627 14.389 -3.866 1.00 0.00 N ATOM 744 CA LYS A 137 8.631 13.931 -2.866 1.00 0.00 C ATOM 745 C LYS A 137 9.143 12.541 -3.264 1.00 0.00 C ATOM 746 O LYS A 137 10.165 12.086 -2.794 1.00 0.00 O ATOM 747 CB LYS A 137 7.955 13.841 -1.495 1.00 0.00 C ATOM 748 CG LYS A 137 7.403 15.214 -1.101 1.00 0.00 C ATOM 749 CD LYS A 137 6.916 15.177 0.351 1.00 0.00 C ATOM 750 CE LYS A 137 6.353 16.548 0.735 1.00 0.00 C ATOM 751 NZ LYS A 137 7.280 17.615 0.263 1.00 0.00 N ATOM 0 H LYS A 137 6.699 13.979 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 137 9.465 14.632 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.148 13.109 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.670 13.498 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.176 15.974 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.582 15.491 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.150 14.411 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 137 7.738 14.911 1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.367 16.685 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 137 6.228 16.612 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.088 18.496 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 8.263 17.321 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.137 17.774 -0.755 1.00 0.00 H new ATOM 765 N GLY A 138 8.424 11.858 -4.111 1.00 0.00 N ATOM 766 CA GLY A 138 8.838 10.486 -4.529 1.00 0.00 C ATOM 767 C GLY A 138 10.167 10.519 -5.290 1.00 0.00 C ATOM 768 O GLY A 138 11.001 9.652 -5.126 1.00 0.00 O ATOM 0 H GLY A 138 7.560 12.193 -4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.934 9.848 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 138 8.065 10.046 -5.159 1.00 0.00 H new ATOM 772 N ASP A 139 10.372 11.498 -6.129 1.00 0.00 N ATOM 773 CA ASP A 139 11.648 11.555 -6.898 1.00 0.00 C ATOM 774 C ASP A 139 12.775 11.992 -5.966 1.00 0.00 C ATOM 775 O ASP A 139 13.937 11.961 -6.318 1.00 0.00 O ATOM 776 CB ASP A 139 11.511 12.556 -8.049 1.00 0.00 C ATOM 777 CG ASP A 139 11.416 13.976 -7.489 1.00 0.00 C ATOM 778 OD1 ASP A 139 10.632 14.181 -6.576 1.00 0.00 O ATOM 779 OD2 ASP A 139 12.126 14.834 -7.983 1.00 0.00 O ATOM 0 H ASP A 139 9.716 12.256 -6.315 1.00 0.00 H new ATOM 0 HA ASP A 139 11.874 10.570 -7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 139 12.368 12.475 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 139 10.623 12.327 -8.639 1.00 0.00 H new ATOM 784 N SER A 140 12.430 12.395 -4.774 1.00 0.00 N ATOM 785 CA SER A 140 13.461 12.839 -3.792 1.00 0.00 C ATOM 786 C SER A 140 13.339 11.987 -2.527 1.00 0.00 C ATOM 787 O SER A 140 12.257 11.616 -2.124 1.00 0.00 O ATOM 788 CB SER A 140 13.215 14.306 -3.449 1.00 0.00 C ATOM 789 OG SER A 140 14.272 14.791 -2.633 1.00 0.00 O ATOM 0 H SER A 140 11.469 12.436 -4.435 1.00 0.00 H new ATOM 0 HA SER A 140 14.460 12.725 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 140 13.148 14.897 -4.363 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.263 14.413 -2.929 1.00 0.00 H new ATOM 0 HG SER A 140 13.982 14.805 -1.697 1.00 0.00 H new ATOM 795 N ASN A 141 14.431 11.665 -1.896 1.00 0.00 N ATOM 796 CA ASN A 141 14.348 10.829 -0.664 1.00 0.00 C ATOM 797 C ASN A 141 13.899 11.700 0.512 1.00 0.00 C ATOM 798 O ASN A 141 14.074 11.348 1.662 1.00 0.00 O ATOM 799 CB ASN A 141 15.717 10.199 -0.372 1.00 0.00 C ATOM 800 CG ASN A 141 16.642 11.210 0.313 1.00 0.00 C ATOM 801 OD1 ASN A 141 16.291 12.360 0.483 1.00 0.00 O ATOM 802 ND2 ASN A 141 17.821 10.822 0.716 1.00 0.00 N ATOM 0 H ASN A 141 15.372 11.941 -2.176 1.00 0.00 H new ATOM 0 HA ASN A 141 13.621 10.030 -0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 141 15.592 9.323 0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 141 16.171 9.855 -1.302 1.00 0.00 H new ATOM 0 HD21 ASN A 141 18.447 11.485 1.174 1.00 0.00 H new ATOM 0 HD22 ASN A 141 18.116 9.856 0.573 1.00 0.00 H new ATOM 809 N SER A 142 13.325 12.837 0.231 1.00 0.00 N ATOM 810 CA SER A 142 12.865 13.734 1.325 1.00 0.00 C ATOM 811 C SER A 142 11.640 13.126 2.013 1.00 0.00 C ATOM 812 O SER A 142 10.996 12.238 1.488 1.00 0.00 O ATOM 813 CB SER A 142 12.495 15.097 0.739 1.00 0.00 C ATOM 814 OG SER A 142 13.499 15.496 -0.183 1.00 0.00 O ATOM 0 H SER A 142 13.155 13.184 -0.713 1.00 0.00 H new ATOM 0 HA SER A 142 13.665 13.853 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 142 11.527 15.041 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 142 12.401 15.835 1.535 1.00 0.00 H new ATOM 0 HG SER A 142 13.266 16.369 -0.563 1.00 0.00 H new ATOM 820 N SER A 143 11.314 13.604 3.183 1.00 0.00 N ATOM 821 CA SER A 143 10.132 13.065 3.916 1.00 0.00 C ATOM 822 C SER A 143 10.120 11.536 3.845 1.00 0.00 C ATOM 823 O SER A 143 9.106 10.910 4.057 1.00 0.00 O ATOM 824 CB SER A 143 8.848 13.616 3.288 1.00 0.00 C ATOM 825 OG SER A 143 8.544 12.880 2.110 1.00 0.00 O ATOM 0 H SER A 143 11.818 14.348 3.665 1.00 0.00 H new ATOM 0 HA SER A 143 10.191 13.371 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 143 8.024 13.545 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 143 8.972 14.672 3.048 1.00 0.00 H new ATOM 0 HG SER A 143 9.352 12.789 1.563 1.00 0.00 H new ATOM 831 N ALA A 144 11.234 10.922 3.563 1.00 0.00 N ATOM 832 CA ALA A 144 11.254 9.432 3.497 1.00 0.00 C ATOM 833 C ALA A 144 10.748 8.860 4.828 1.00 0.00 C ATOM 834 O ALA A 144 10.711 7.662 5.025 1.00 0.00 O ATOM 835 CB ALA A 144 12.687 8.952 3.240 1.00 0.00 C ATOM 0 H ALA A 144 12.126 11.381 3.376 1.00 0.00 H new ATOM 0 HA ALA A 144 10.610 9.091 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 144 12.703 7.863 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 144 13.044 9.362 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 144 13.334 9.289 4.050 1.00 0.00 H new ATOM 841 N GLY A 145 10.374 9.710 5.745 1.00 0.00 N ATOM 842 CA GLY A 145 9.892 9.226 7.068 1.00 0.00 C ATOM 843 C GLY A 145 8.537 8.514 6.942 1.00 0.00 C ATOM 844 O GLY A 145 8.327 7.475 7.535 1.00 0.00 O ATOM 0 H GLY A 145 10.382 10.724 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 145 10.625 8.543 7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 145 9.800 10.068 7.754 1.00 0.00 H new ATOM 848 N TRP A 146 7.602 9.064 6.207 1.00 0.00 N ATOM 849 CA TRP A 146 6.263 8.398 6.106 1.00 0.00 C ATOM 850 C TRP A 146 6.415 6.935 5.684 1.00 0.00 C ATOM 851 O TRP A 146 5.653 6.088 6.104 1.00 0.00 O ATOM 852 CB TRP A 146 5.346 9.127 5.114 1.00 0.00 C ATOM 853 CG TRP A 146 6.031 9.343 3.802 1.00 0.00 C ATOM 854 CD1 TRP A 146 6.757 10.434 3.486 1.00 0.00 C ATOM 855 CD2 TRP A 146 6.042 8.487 2.621 1.00 0.00 C ATOM 856 NE1 TRP A 146 7.233 10.299 2.194 1.00 0.00 N ATOM 857 CE2 TRP A 146 6.817 9.117 1.617 1.00 0.00 C ATOM 858 CE3 TRP A 146 5.467 7.238 2.327 1.00 0.00 C ATOM 859 CZ2 TRP A 146 7.013 8.529 0.365 1.00 0.00 C ATOM 860 CZ3 TRP A 146 5.661 6.644 1.068 1.00 0.00 C ATOM 861 CH2 TRP A 146 6.433 7.288 0.091 1.00 0.00 C ATOM 0 H TRP A 146 7.703 9.931 5.680 1.00 0.00 H new ATOM 0 HA TRP A 146 5.806 8.441 7.095 1.00 0.00 H new ATOM 0 HB2 TRP A 146 4.437 8.546 4.961 1.00 0.00 H new ATOM 0 HB3 TRP A 146 5.044 10.087 5.532 1.00 0.00 H new ATOM 0 HD1 TRP A 146 6.938 11.277 4.136 1.00 0.00 H new ATOM 0 HE1 TRP A 146 7.820 10.989 1.725 1.00 0.00 H new ATOM 0 HE3 TRP A 146 4.873 6.732 3.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 7.608 9.030 -0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 5.213 5.686 0.852 1.00 0.00 H new ATOM 0 HH2 TRP A 146 6.579 6.825 -0.874 1.00 0.00 H new ATOM 872 N LYS A 147 7.379 6.616 4.865 1.00 0.00 N ATOM 873 CA LYS A 147 7.534 5.193 4.448 1.00 0.00 C ATOM 874 C LYS A 147 7.559 4.306 5.698 1.00 0.00 C ATOM 875 O LYS A 147 6.960 3.249 5.733 1.00 0.00 O ATOM 876 CB LYS A 147 8.838 5.022 3.661 1.00 0.00 C ATOM 877 CG LYS A 147 8.873 3.630 3.025 1.00 0.00 C ATOM 878 CD LYS A 147 10.075 3.523 2.081 1.00 0.00 C ATOM 879 CE LYS A 147 11.378 3.613 2.885 1.00 0.00 C ATOM 880 NZ LYS A 147 12.484 2.982 2.109 1.00 0.00 N ATOM 0 H LYS A 147 8.057 7.268 4.471 1.00 0.00 H new ATOM 0 HA LYS A 147 6.698 4.904 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.912 5.788 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.694 5.153 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 147 8.939 2.867 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 147 7.950 3.447 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 147 10.038 2.580 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 147 10.039 4.321 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 147 11.616 4.655 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 147 11.261 3.111 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 13.368 3.042 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 12.256 1.983 1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 12.600 3.480 1.203 1.00 0.00 H new ATOM 894 N ASN A 148 8.243 4.731 6.729 1.00 0.00 N ATOM 895 CA ASN A 148 8.296 3.915 7.977 1.00 0.00 C ATOM 896 C ASN A 148 6.880 3.732 8.532 1.00 0.00 C ATOM 897 O ASN A 148 6.512 2.669 8.992 1.00 0.00 O ATOM 898 CB ASN A 148 9.161 4.629 9.023 1.00 0.00 C ATOM 899 CG ASN A 148 9.645 3.618 10.068 1.00 0.00 C ATOM 900 OD1 ASN A 148 9.480 2.427 9.898 1.00 0.00 O ATOM 901 ND2 ASN A 148 10.240 4.046 11.147 1.00 0.00 N ATOM 0 H ASN A 148 8.766 5.606 6.760 1.00 0.00 H new ATOM 0 HA ASN A 148 8.728 2.940 7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 148 10.015 5.105 8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 148 8.587 5.420 9.506 1.00 0.00 H new ATOM 0 HD21 ASN A 148 10.566 3.380 11.848 1.00 0.00 H new ATOM 0 HD22 ASN A 148 10.379 5.046 11.290 1.00 0.00 H new ATOM 908 N SER A 149 6.089 4.770 8.508 1.00 0.00 N ATOM 909 CA SER A 149 4.705 4.671 9.048 1.00 0.00 C ATOM 910 C SER A 149 3.969 3.504 8.396 1.00 0.00 C ATOM 911 O SER A 149 3.271 2.755 9.050 1.00 0.00 O ATOM 912 CB SER A 149 3.954 5.964 8.749 1.00 0.00 C ATOM 913 OG SER A 149 3.528 5.954 7.395 1.00 0.00 O ATOM 0 H SER A 149 6.344 5.685 8.136 1.00 0.00 H new ATOM 0 HA SER A 149 4.754 4.508 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.095 6.061 9.412 1.00 0.00 H new ATOM 0 HB3 SER A 149 4.598 6.824 8.934 1.00 0.00 H new ATOM 0 HG SER A 149 4.148 6.486 6.853 1.00 0.00 H new ATOM 919 N ILE A 150 4.109 3.340 7.114 1.00 0.00 N ATOM 920 CA ILE A 150 3.402 2.211 6.443 1.00 0.00 C ATOM 921 C ILE A 150 3.867 0.898 7.080 1.00 0.00 C ATOM 922 O ILE A 150 3.079 0.005 7.328 1.00 0.00 O ATOM 923 CB ILE A 150 3.736 2.187 4.946 1.00 0.00 C ATOM 924 CG1 ILE A 150 3.350 3.524 4.305 1.00 0.00 C ATOM 925 CG2 ILE A 150 2.944 1.064 4.273 1.00 0.00 C ATOM 926 CD1 ILE A 150 3.941 3.605 2.892 1.00 0.00 C ATOM 0 H ILE A 150 4.675 3.930 6.504 1.00 0.00 H new ATOM 0 HA ILE A 150 2.326 2.336 6.562 1.00 0.00 H new ATOM 0 HB ILE A 150 4.806 2.020 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 150 2.265 3.619 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.719 4.350 4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 150 3.177 1.042 3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 150 3.213 0.109 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 150 1.877 1.241 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 150 3.666 4.556 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 150 5.027 3.529 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 150 3.551 2.787 2.287 1.00 0.00 H new ATOM 938 N ARG A 151 5.139 0.777 7.353 1.00 0.00 N ATOM 939 CA ARG A 151 5.653 -0.473 7.984 1.00 0.00 C ATOM 940 C ARG A 151 4.933 -0.732 9.313 1.00 0.00 C ATOM 941 O ARG A 151 4.630 -1.859 9.647 1.00 0.00 O ATOM 942 CB ARG A 151 7.165 -0.352 8.214 1.00 0.00 C ATOM 943 CG ARG A 151 7.882 -0.525 6.873 1.00 0.00 C ATOM 944 CD ARG A 151 9.379 -0.255 7.031 1.00 0.00 C ATOM 945 NE ARG A 151 10.068 -0.570 5.748 1.00 0.00 N ATOM 946 CZ ARG A 151 11.255 -0.087 5.500 1.00 0.00 C ATOM 947 NH1 ARG A 151 11.836 0.702 6.360 1.00 0.00 N ATOM 948 NH2 ARG A 151 11.857 -0.386 4.382 1.00 0.00 N ATOM 0 H ARG A 151 5.844 1.490 7.166 1.00 0.00 H new ATOM 0 HA ARG A 151 5.460 -1.313 7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.404 0.619 8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 151 7.501 -1.109 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 151 7.726 -1.536 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 151 7.459 0.157 6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 151 9.547 0.787 7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 151 9.788 -0.864 7.837 1.00 0.00 H new ATOM 0 HE ARG A 151 9.609 -1.167 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 151 11.363 0.944 7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 151 12.764 1.077 6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 151 11.400 -0.996 3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 151 12.785 -0.010 4.186 1.00 0.00 H new ATOM 962 N HIS A 152 4.657 0.292 10.081 1.00 0.00 N ATOM 963 CA HIS A 152 3.962 0.062 11.382 1.00 0.00 C ATOM 964 C HIS A 152 2.568 -0.512 11.124 1.00 0.00 C ATOM 965 O HIS A 152 2.071 -1.315 11.888 1.00 0.00 O ATOM 966 CB HIS A 152 3.877 1.376 12.175 1.00 0.00 C ATOM 967 CG HIS A 152 2.599 2.122 11.868 1.00 0.00 C ATOM 968 ND1 HIS A 152 2.601 3.348 11.218 1.00 0.00 N ATOM 969 CD2 HIS A 152 1.281 1.851 12.152 1.00 0.00 C ATOM 970 CE1 HIS A 152 1.325 3.768 11.137 1.00 0.00 C ATOM 971 NE2 HIS A 152 0.486 2.895 11.692 1.00 0.00 N ATOM 0 H HIS A 152 4.880 1.264 9.867 1.00 0.00 H new ATOM 0 HA HIS A 152 4.529 -0.655 11.975 1.00 0.00 H new ATOM 0 HB2 HIS A 152 3.928 1.163 13.243 1.00 0.00 H new ATOM 0 HB3 HIS A 152 4.734 2.005 11.934 1.00 0.00 H new ATOM 0 HD2 HIS A 152 0.920 0.966 12.654 1.00 0.00 H new ATOM 0 HE1 HIS A 152 1.019 4.697 10.679 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -0.528 2.975 11.764 1.00 0.00 H new ATOM 980 N ASN A 153 1.933 -0.125 10.050 1.00 0.00 N ATOM 981 CA ASN A 153 0.581 -0.678 9.758 1.00 0.00 C ATOM 982 C ASN A 153 0.709 -2.149 9.348 1.00 0.00 C ATOM 983 O ASN A 153 0.012 -3.005 9.854 1.00 0.00 O ATOM 984 CB ASN A 153 -0.067 0.121 8.626 1.00 0.00 C ATOM 985 CG ASN A 153 -0.473 1.495 9.155 1.00 0.00 C ATOM 986 OD1 ASN A 153 -1.504 1.637 9.781 1.00 0.00 O ATOM 987 ND2 ASN A 153 0.301 2.519 8.932 1.00 0.00 N ATOM 0 H ASN A 153 2.289 0.545 9.368 1.00 0.00 H new ATOM 0 HA ASN A 153 -0.042 -0.605 10.649 1.00 0.00 H new ATOM 0 HB2 ASN A 153 0.630 0.229 7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -0.940 -0.408 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 153 0.041 3.441 9.283 1.00 0.00 H new ATOM 0 HD22 ASN A 153 1.167 2.399 8.406 1.00 0.00 H new ATOM 994 N LEU A 154 1.596 -2.452 8.439 1.00 0.00 N ATOM 995 CA LEU A 154 1.757 -3.872 8.014 1.00 0.00 C ATOM 996 C LEU A 154 2.118 -4.720 9.235 1.00 0.00 C ATOM 997 O LEU A 154 1.696 -5.852 9.364 1.00 0.00 O ATOM 998 CB LEU A 154 2.871 -3.985 6.972 1.00 0.00 C ATOM 999 CG LEU A 154 2.604 -3.019 5.814 1.00 0.00 C ATOM 1000 CD1 LEU A 154 3.700 -3.181 4.758 1.00 0.00 C ATOM 1001 CD2 LEU A 154 1.241 -3.326 5.182 1.00 0.00 C ATOM 0 H LEU A 154 2.212 -1.784 7.976 1.00 0.00 H new ATOM 0 HA LEU A 154 0.824 -4.225 7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.834 -3.759 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.928 -5.007 6.598 1.00 0.00 H new ATOM 0 HG LEU A 154 2.602 -1.996 6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 154 3.513 -2.495 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 154 4.670 -2.958 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 154 3.698 -4.206 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.058 -2.635 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.237 -4.349 4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.458 -3.213 5.932 1.00 0.00 H new ATOM 1013 N SER A 155 2.907 -4.183 10.132 1.00 0.00 N ATOM 1014 CA SER A 155 3.302 -4.960 11.342 1.00 0.00 C ATOM 1015 C SER A 155 2.164 -4.944 12.368 1.00 0.00 C ATOM 1016 O SER A 155 1.732 -5.977 12.839 1.00 0.00 O ATOM 1017 CB SER A 155 4.558 -4.344 11.956 1.00 0.00 C ATOM 1018 OG SER A 155 5.498 -4.080 10.925 1.00 0.00 O ATOM 0 H SER A 155 3.293 -3.241 10.077 1.00 0.00 H new ATOM 0 HA SER A 155 3.507 -5.991 11.055 1.00 0.00 H new ATOM 0 HB2 SER A 155 4.307 -3.422 12.481 1.00 0.00 H new ATOM 0 HB3 SER A 155 4.988 -5.023 12.692 1.00 0.00 H new ATOM 0 HG SER A 155 5.316 -3.200 10.534 1.00 0.00 H new ATOM 1024 N LEU A 156 1.663 -3.784 12.712 1.00 0.00 N ATOM 1025 CA LEU A 156 0.540 -3.724 13.698 1.00 0.00 C ATOM 1026 C LEU A 156 -0.758 -4.108 12.992 1.00 0.00 C ATOM 1027 O LEU A 156 -0.807 -4.223 11.783 1.00 0.00 O ATOM 1028 CB LEU A 156 0.381 -2.303 14.262 1.00 0.00 C ATOM 1029 CG LEU A 156 1.549 -1.933 15.184 1.00 0.00 C ATOM 1030 CD1 LEU A 156 1.354 -0.495 15.671 1.00 0.00 C ATOM 1031 CD2 LEU A 156 1.583 -2.864 16.404 1.00 0.00 C ATOM 0 H LEU A 156 1.980 -2.882 12.356 1.00 0.00 H new ATOM 0 HA LEU A 156 0.760 -4.410 14.516 1.00 0.00 H new ATOM 0 HB2 LEU A 156 0.323 -1.588 13.441 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -0.557 -2.232 14.813 1.00 0.00 H new ATOM 0 HG LEU A 156 2.484 -2.032 14.632 1.00 0.00 H new ATOM 0 HD11 LEU A 156 2.178 -0.219 16.328 1.00 0.00 H new ATOM 0 HD12 LEU A 156 1.331 0.179 14.815 1.00 0.00 H new ATOM 0 HD13 LEU A 156 0.414 -0.420 16.217 1.00 0.00 H new ATOM 0 HD21 LEU A 156 2.418 -2.589 17.049 1.00 0.00 H new ATOM 0 HD22 LEU A 156 0.650 -2.771 16.959 1.00 0.00 H new ATOM 0 HD23 LEU A 156 1.706 -3.895 16.072 1.00 0.00 H new ATOM 1043 N HIS A 157 -1.810 -4.295 13.736 1.00 0.00 N ATOM 1044 CA HIS A 157 -3.113 -4.656 13.112 1.00 0.00 C ATOM 1045 C HIS A 157 -2.962 -5.944 12.299 1.00 0.00 C ATOM 1046 O HIS A 157 -2.575 -5.919 11.147 1.00 0.00 O ATOM 1047 CB HIS A 157 -3.566 -3.518 12.189 1.00 0.00 C ATOM 1048 CG HIS A 157 -3.410 -2.198 12.896 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -2.371 -1.321 12.608 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -4.149 -1.593 13.884 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -2.514 -0.248 13.409 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -3.580 -0.366 14.202 1.00 0.00 N ATOM 0 H HIS A 157 -1.825 -4.213 14.753 1.00 0.00 H new ATOM 0 HA HIS A 157 -3.856 -4.813 13.894 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -2.975 -3.523 11.273 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -4.606 -3.665 11.898 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -5.035 -2.007 14.342 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -1.848 0.602 13.409 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -3.909 0.305 14.897 1.00 0.00 H new ATOM 1061 N SER A 158 -3.277 -7.071 12.885 1.00 0.00 N ATOM 1062 CA SER A 158 -3.161 -8.356 12.139 1.00 0.00 C ATOM 1063 C SER A 158 -3.997 -8.258 10.862 1.00 0.00 C ATOM 1064 O SER A 158 -3.965 -9.127 10.013 1.00 0.00 O ATOM 1065 CB SER A 158 -3.686 -9.501 13.007 1.00 0.00 C ATOM 1066 OG SER A 158 -5.084 -9.334 13.207 1.00 0.00 O ATOM 0 H SER A 158 -3.609 -7.155 13.846 1.00 0.00 H new ATOM 0 HA SER A 158 -2.118 -8.548 11.888 1.00 0.00 H new ATOM 0 HB2 SER A 158 -3.487 -10.459 12.526 1.00 0.00 H new ATOM 0 HB3 SER A 158 -3.168 -9.513 13.966 1.00 0.00 H new ATOM 0 HG SER A 158 -5.425 -10.067 13.761 1.00 0.00 H new ATOM 1072 N LYS A 159 -4.741 -7.195 10.726 1.00 0.00 N ATOM 1073 CA LYS A 159 -5.586 -7.014 9.514 1.00 0.00 C ATOM 1074 C LYS A 159 -4.760 -7.362 8.269 1.00 0.00 C ATOM 1075 O LYS A 159 -5.293 -7.728 7.240 1.00 0.00 O ATOM 1076 CB LYS A 159 -6.039 -5.555 9.441 1.00 0.00 C ATOM 1077 CG LYS A 159 -7.118 -5.404 8.370 1.00 0.00 C ATOM 1078 CD LYS A 159 -7.398 -3.914 8.130 1.00 0.00 C ATOM 1079 CE LYS A 159 -6.355 -3.334 7.172 1.00 0.00 C ATOM 1080 NZ LYS A 159 -6.811 -1.999 6.697 1.00 0.00 N ATOM 0 H LYS A 159 -4.800 -6.439 11.408 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.458 -7.666 9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -6.426 -5.235 10.409 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -5.190 -4.912 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -6.794 -5.878 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -8.031 -5.910 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -8.397 -3.786 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -7.375 -3.374 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -5.392 -3.244 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -6.210 -4.004 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -6.875 -2.003 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -7.746 -1.788 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -6.131 -1.272 6.999 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.461 -7.256 8.362 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.587 -7.587 7.195 1.00 0.00 C ATOM 1096 C PHE A 160 -1.937 -8.954 7.433 1.00 0.00 C ATOM 1097 O PHE A 160 -1.430 -9.223 8.503 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.497 -6.524 7.061 1.00 0.00 C ATOM 1099 CG PHE A 160 -2.128 -5.186 6.760 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -2.737 -4.965 5.520 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -2.109 -4.169 7.723 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -3.323 -3.726 5.239 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -2.696 -2.930 7.443 1.00 0.00 C ATOM 1104 CZ PHE A 160 -3.304 -2.708 6.200 1.00 0.00 C ATOM 0 H PHE A 160 -2.964 -6.953 9.200 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.182 -7.614 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -0.917 -6.465 7.982 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -0.804 -6.798 6.265 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -2.755 -5.751 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -1.641 -4.341 8.681 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -3.790 -3.555 4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.681 -2.145 8.185 1.00 0.00 H new ATOM 0 HZ PHE A 160 -3.758 -1.752 5.984 1.00 0.00 H new ATOM 1114 N ILE A 161 -1.956 -9.828 6.454 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.344 -11.179 6.650 1.00 0.00 C ATOM 1116 C ILE A 161 -0.031 -11.296 5.870 1.00 0.00 C ATOM 1117 O ILE A 161 0.074 -10.882 4.731 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.334 -12.254 6.187 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.369 -12.314 4.656 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -3.726 -11.907 6.710 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -3.547 -13.183 4.192 1.00 0.00 C ATOM 0 H ILE A 161 -2.366 -9.665 5.534 1.00 0.00 H new ATOM 0 HA ILE A 161 -1.122 -11.320 7.708 1.00 0.00 H new ATOM 0 HB ILE A 161 -2.019 -13.223 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -2.465 -11.308 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.433 -12.724 4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.437 -12.667 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.707 -11.870 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.030 -10.936 6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -3.565 -13.220 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -3.433 -14.192 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.481 -12.754 4.555 1.00 0.00 H new ATOM 1133 N LYS A 162 0.970 -11.864 6.486 1.00 0.00 N ATOM 1134 CA LYS A 162 2.287 -12.026 5.806 1.00 0.00 C ATOM 1135 C LYS A 162 2.280 -13.310 4.966 1.00 0.00 C ATOM 1136 O LYS A 162 1.897 -14.363 5.435 1.00 0.00 O ATOM 1137 CB LYS A 162 3.386 -12.117 6.868 1.00 0.00 C ATOM 1138 CG LYS A 162 4.765 -12.035 6.205 1.00 0.00 C ATOM 1139 CD LYS A 162 5.063 -10.585 5.792 1.00 0.00 C ATOM 1140 CE LYS A 162 6.573 -10.404 5.616 1.00 0.00 C ATOM 1141 NZ LYS A 162 6.890 -8.950 5.508 1.00 0.00 N ATOM 0 H LYS A 162 0.931 -12.226 7.439 1.00 0.00 H new ATOM 0 HA LYS A 162 2.471 -11.173 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 162 3.272 -11.309 7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 162 3.294 -13.053 7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 162 5.531 -12.390 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.797 -12.685 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.547 -10.347 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.689 -9.896 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 162 7.104 -10.841 6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.911 -10.928 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 7.574 -8.800 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.019 -8.419 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 7.299 -8.616 6.404 1.00 0.00 H new ATOM 1155 N VAL A 163 2.707 -13.230 3.732 1.00 0.00 N ATOM 1156 CA VAL A 163 2.733 -14.445 2.859 1.00 0.00 C ATOM 1157 C VAL A 163 4.177 -14.910 2.674 1.00 0.00 C ATOM 1158 O VAL A 163 5.043 -14.144 2.301 1.00 0.00 O ATOM 1159 CB VAL A 163 2.157 -14.093 1.489 1.00 0.00 C ATOM 1160 CG1 VAL A 163 2.180 -15.325 0.579 1.00 0.00 C ATOM 1161 CG2 VAL A 163 0.715 -13.589 1.631 1.00 0.00 C ATOM 0 H VAL A 163 3.040 -12.374 3.289 1.00 0.00 H new ATOM 0 HA VAL A 163 2.144 -15.235 3.324 1.00 0.00 H new ATOM 0 HB VAL A 163 2.768 -13.305 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 163 1.767 -15.065 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.207 -15.669 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.582 -16.119 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.317 -13.342 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.101 -14.366 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.701 -12.700 2.262 1.00 0.00 H new ATOM 1171 N HIS A 164 4.441 -16.161 2.919 1.00 0.00 N ATOM 1172 CA HIS A 164 5.826 -16.679 2.747 1.00 0.00 C ATOM 1173 C HIS A 164 6.105 -16.907 1.259 1.00 0.00 C ATOM 1174 O HIS A 164 5.780 -17.944 0.711 1.00 0.00 O ATOM 1175 CB HIS A 164 5.972 -18.002 3.503 1.00 0.00 C ATOM 1176 CG HIS A 164 7.230 -18.706 3.065 1.00 0.00 C ATOM 1177 ND1 HIS A 164 8.236 -18.060 2.358 1.00 0.00 N ATOM 1178 CD2 HIS A 164 7.665 -19.997 3.236 1.00 0.00 C ATOM 1179 CE1 HIS A 164 9.216 -18.955 2.135 1.00 0.00 C ATOM 1180 NE2 HIS A 164 8.917 -20.147 2.651 1.00 0.00 N ATOM 0 H HIS A 164 3.756 -16.849 3.232 1.00 0.00 H new ATOM 0 HA HIS A 164 6.537 -15.954 3.142 1.00 0.00 H new ATOM 0 HB2 HIS A 164 6.004 -17.816 4.577 1.00 0.00 H new ATOM 0 HB3 HIS A 164 5.106 -18.636 3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 164 7.118 -20.776 3.747 1.00 0.00 H new ATOM 0 HE1 HIS A 164 10.130 -18.735 1.604 1.00 0.00 H new ATOM 0 HE2 HIS A 164 9.487 -20.992 2.623 1.00 0.00 H new ATOM 1189 N ASN A 165 6.712 -15.959 0.599 1.00 0.00 N ATOM 1190 CA ASN A 165 7.013 -16.147 -0.846 1.00 0.00 C ATOM 1191 C ASN A 165 8.036 -17.268 -1.004 1.00 0.00 C ATOM 1192 O ASN A 165 9.158 -17.165 -0.548 1.00 0.00 O ATOM 1193 CB ASN A 165 7.594 -14.860 -1.431 1.00 0.00 C ATOM 1194 CG ASN A 165 7.938 -15.088 -2.902 1.00 0.00 C ATOM 1195 OD1 ASN A 165 9.060 -14.875 -3.318 1.00 0.00 O ATOM 1196 ND2 ASN A 165 7.011 -15.518 -3.712 1.00 0.00 N ATOM 0 H ASN A 165 7.011 -15.068 0.996 1.00 0.00 H new ATOM 0 HA ASN A 165 6.093 -16.401 -1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 165 6.876 -14.046 -1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 165 8.486 -14.565 -0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 165 7.227 -15.676 -4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 165 6.070 -15.696 -3.361 1.00 0.00 H new ATOM 1203 N GLU A 166 7.669 -18.331 -1.657 1.00 0.00 N ATOM 1204 CA GLU A 166 8.635 -19.438 -1.851 1.00 0.00 C ATOM 1205 C GLU A 166 9.741 -18.927 -2.777 1.00 0.00 C ATOM 1206 O GLU A 166 10.905 -19.224 -2.599 1.00 0.00 O ATOM 1207 CB GLU A 166 7.916 -20.625 -2.490 1.00 0.00 C ATOM 1208 CG GLU A 166 6.810 -21.114 -1.546 1.00 0.00 C ATOM 1209 CD GLU A 166 5.785 -21.935 -2.330 1.00 0.00 C ATOM 1210 OE1 GLU A 166 5.747 -21.803 -3.541 1.00 0.00 O ATOM 1211 OE2 GLU A 166 5.052 -22.683 -1.703 1.00 0.00 O ATOM 0 H GLU A 166 6.745 -18.480 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 166 9.060 -19.762 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.489 -20.333 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 166 8.624 -21.430 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.241 -21.719 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 166 6.322 -20.263 -1.072 1.00 0.00 H new ATOM 1218 N ALA A 167 9.380 -18.128 -3.749 1.00 0.00 N ATOM 1219 CA ALA A 167 10.398 -17.558 -4.667 1.00 0.00 C ATOM 1220 C ALA A 167 11.293 -16.624 -3.857 1.00 0.00 C ATOM 1221 O ALA A 167 11.281 -15.422 -4.028 1.00 0.00 O ATOM 1222 CB ALA A 167 9.709 -16.774 -5.789 1.00 0.00 C ATOM 0 H ALA A 167 8.419 -17.848 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 167 10.990 -18.355 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 167 10.462 -16.359 -6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 167 9.054 -17.441 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 167 9.120 -15.964 -5.358 1.00 0.00 H new ATOM 1271 N SER A 171 10.501 -10.583 -3.180 1.00 0.00 N ATOM 1272 CA SER A 171 10.206 -10.214 -1.766 1.00 0.00 C ATOM 1273 C SER A 171 8.924 -10.929 -1.308 1.00 0.00 C ATOM 1274 O SER A 171 8.212 -11.511 -2.102 1.00 0.00 O ATOM 1275 CB SER A 171 10.023 -8.700 -1.660 1.00 0.00 C ATOM 1276 OG SER A 171 9.065 -8.280 -2.614 1.00 0.00 O ATOM 0 HA SER A 171 11.035 -10.519 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 171 9.696 -8.430 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 171 10.973 -8.194 -1.833 1.00 0.00 H new ATOM 0 HG SER A 171 9.137 -8.837 -3.417 1.00 0.00 H new ATOM 1282 N SER A 172 8.638 -10.901 -0.032 1.00 0.00 N ATOM 1283 CA SER A 172 7.418 -11.594 0.488 1.00 0.00 C ATOM 1284 C SER A 172 6.140 -10.950 -0.068 1.00 0.00 C ATOM 1285 O SER A 172 6.123 -9.795 -0.443 1.00 0.00 O ATOM 1286 CB SER A 172 7.395 -11.505 2.013 1.00 0.00 C ATOM 1287 OG SER A 172 8.635 -11.967 2.529 1.00 0.00 O ATOM 0 H SER A 172 9.198 -10.427 0.676 1.00 0.00 H new ATOM 0 HA SER A 172 7.454 -12.636 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 172 7.219 -10.476 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.576 -12.104 2.411 1.00 0.00 H new ATOM 0 HG SER A 172 8.624 -11.910 3.507 1.00 0.00 H new ATOM 1293 N TRP A 173 5.068 -11.703 -0.113 1.00 0.00 N ATOM 1294 CA TRP A 173 3.769 -11.174 -0.629 1.00 0.00 C ATOM 1295 C TRP A 173 2.900 -10.669 0.539 1.00 0.00 C ATOM 1296 O TRP A 173 2.860 -11.267 1.595 1.00 0.00 O ATOM 1297 CB TRP A 173 3.034 -12.306 -1.360 1.00 0.00 C ATOM 1298 CG TRP A 173 3.768 -12.658 -2.606 1.00 0.00 C ATOM 1299 CD1 TRP A 173 4.566 -13.735 -2.767 1.00 0.00 C ATOM 1300 CD2 TRP A 173 3.775 -11.951 -3.865 1.00 0.00 C ATOM 1301 NE1 TRP A 173 5.067 -13.729 -4.056 1.00 0.00 N ATOM 1302 CE2 TRP A 173 4.604 -12.644 -4.774 1.00 0.00 C ATOM 1303 CE3 TRP A 173 3.143 -10.782 -4.292 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 4.798 -12.183 -6.078 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 3.331 -10.311 -5.601 1.00 0.00 C ATOM 1306 CH2 TRP A 173 4.158 -11.011 -6.492 1.00 0.00 C ATOM 0 H TRP A 173 5.039 -12.676 0.191 1.00 0.00 H new ATOM 0 HA TRP A 173 3.958 -10.344 -1.310 1.00 0.00 H new ATOM 0 HB2 TRP A 173 2.957 -13.180 -0.713 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.017 -11.996 -1.601 1.00 0.00 H new ATOM 0 HD1 TRP A 173 4.778 -14.479 -2.013 1.00 0.00 H new ATOM 0 HE1 TRP A 173 5.699 -14.437 -4.429 1.00 0.00 H new ATOM 0 HE3 TRP A 173 2.506 -10.237 -3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 5.436 -12.726 -6.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 2.837 -9.406 -5.923 1.00 0.00 H new ATOM 0 HH2 TRP A 173 4.300 -10.645 -7.498 1.00 0.00 H new ATOM 1317 N TRP A 174 2.193 -9.578 0.354 1.00 0.00 N ATOM 1318 CA TRP A 174 1.314 -9.047 1.447 1.00 0.00 C ATOM 1319 C TRP A 174 -0.156 -9.208 1.037 1.00 0.00 C ATOM 1320 O TRP A 174 -0.504 -9.044 -0.115 1.00 0.00 O ATOM 1321 CB TRP A 174 1.612 -7.562 1.676 1.00 0.00 C ATOM 1322 CG TRP A 174 2.767 -7.406 2.614 1.00 0.00 C ATOM 1323 CD1 TRP A 174 4.039 -7.128 2.246 1.00 0.00 C ATOM 1324 CD2 TRP A 174 2.773 -7.503 4.068 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.826 -7.048 3.381 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.091 -7.272 4.529 1.00 0.00 C ATOM 1327 CE3 TRP A 174 1.774 -7.768 5.022 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.404 -7.301 5.889 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.087 -7.797 6.391 1.00 0.00 C ATOM 1330 CH2 TRP A 174 3.400 -7.563 6.822 1.00 0.00 C ATOM 0 H TRP A 174 2.187 -9.032 -0.507 1.00 0.00 H new ATOM 0 HA TRP A 174 1.506 -9.601 2.366 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.838 -7.078 0.726 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.732 -7.066 2.085 1.00 0.00 H new ATOM 0 HD1 TRP A 174 4.384 -6.991 1.232 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.826 -6.848 3.371 1.00 0.00 H new ATOM 0 HE3 TRP A 174 0.759 -7.950 4.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.417 -7.122 6.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 1.312 -8.001 7.115 1.00 0.00 H new ATOM 0 HH2 TRP A 174 3.635 -7.585 7.876 1.00 0.00 H new ATOM 1341 N MET A 175 -1.024 -9.530 1.967 1.00 0.00 N ATOM 1342 CA MET A 175 -2.465 -9.697 1.607 1.00 0.00 C ATOM 1343 C MET A 175 -3.377 -9.268 2.756 1.00 0.00 C ATOM 1344 O MET A 175 -2.980 -9.207 3.903 1.00 0.00 O ATOM 1345 CB MET A 175 -2.743 -11.163 1.288 1.00 0.00 C ATOM 1346 CG MET A 175 -2.030 -11.555 -0.006 1.00 0.00 C ATOM 1347 SD MET A 175 -2.853 -12.994 -0.734 1.00 0.00 S ATOM 1348 CE MET A 175 -2.709 -14.098 0.694 1.00 0.00 C ATOM 0 H MET A 175 -0.798 -9.683 2.950 1.00 0.00 H new ATOM 0 HA MET A 175 -2.670 -9.068 0.740 1.00 0.00 H new ATOM 0 HB2 MET A 175 -2.401 -11.794 2.108 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.816 -11.326 1.186 1.00 0.00 H new ATOM 0 HG2 MET A 175 -2.043 -10.721 -0.708 1.00 0.00 H new ATOM 0 HG3 MET A 175 -0.984 -11.785 0.197 1.00 0.00 H new ATOM 0 HE1 MET A 175 -2.382 -15.083 0.361 1.00 0.00 H new ATOM 0 HE2 MET A 175 -1.981 -13.692 1.396 1.00 0.00 H new ATOM 0 HE3 MET A 175 -3.678 -14.185 1.186 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.614 -8.992 2.444 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.591 -8.596 3.492 1.00 0.00 C ATOM 1360 C LEU A 176 -6.157 -9.874 4.129 1.00 0.00 C ATOM 1361 O LEU A 176 -6.292 -10.888 3.472 1.00 0.00 O ATOM 1362 CB LEU A 176 -6.712 -7.775 2.842 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.105 -6.840 1.788 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.216 -6.026 1.112 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.110 -5.886 2.462 1.00 0.00 C ATOM 0 H LEU A 176 -4.991 -9.025 1.497 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.115 -7.989 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.444 -8.438 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.241 -7.195 3.599 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.588 -7.436 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -6.779 -5.364 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -7.921 -6.703 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -7.739 -5.432 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -4.679 -5.222 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -5.628 -5.294 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.316 -6.463 2.935 1.00 0.00 H new ATOM 1377 N ASN A 177 -6.481 -9.848 5.396 1.00 0.00 N ATOM 1378 CA ASN A 177 -7.025 -11.082 6.044 1.00 0.00 C ATOM 1379 C ASN A 177 -8.277 -11.558 5.298 1.00 0.00 C ATOM 1380 O ASN A 177 -8.431 -12.730 5.022 1.00 0.00 O ATOM 1381 CB ASN A 177 -7.364 -10.800 7.519 1.00 0.00 C ATOM 1382 CG ASN A 177 -6.652 -11.817 8.417 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -5.672 -11.497 9.057 1.00 0.00 O ATOM 1384 ND2 ASN A 177 -7.105 -13.040 8.490 1.00 0.00 N ATOM 0 H ASN A 177 -6.394 -9.035 6.006 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.269 -11.866 6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -7.058 -9.788 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -8.442 -10.858 7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -6.635 -13.723 9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -7.929 -13.312 7.953 1.00 0.00 H new