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 140 SER OG : rot -128:sc= 0.606 USER MOD Set 1.2: A 142 SER OG : rot 180:sc= 0.552 USER MOD Set 2.1: A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 143 SER OG : rot -150:sc= -0.283 USER MOD Set 3.1: A 119 THR OG1 : rot -81:sc= 0.823 USER MOD Set 3.2: A 122 GLN : amide:sc= 0.651 K(o=1.5,f=-0.67!) 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 180:sc= 0 USER MOD Single : A 107 SER OG : rot -38:sc= 1.27 USER MOD Single : A 108 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.5) USER MOD Single : A 112 SER OG : rot -50:sc= 1.12 USER MOD Single : A 116 LYS NZ :NH3+ 154:sc= -0.0541 (180deg=-0.575) USER MOD Single : A 124 TYR OH : rot -18:sc= -0.305 USER MOD Single : A 127 MET CE :methyl -172:sc= 0 (180deg=-0.0268) USER MOD Single : A 130 THR OG1 : rot 86:sc= 1.05 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 141 ASN : amide:sc= -0.0366 K(o=-0.037,f=-1.7!) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.0329 K(o=-0.033,f=-1.9!) USER MOD Single : A 149 SER OG : rot -80:sc= 0.506 USER MOD Single : A 152 HIS : no HE2:sc= -0.88 K(o=-0.88,f=-1.6) USER MOD Single : A 153 ASN : amide:sc= -0.271! C(o=-0.27!,f=-2.5!) USER MOD Single : A 155 SER OG : rot -67:sc= 1 USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0624) USER MOD Single : A 164 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.5) USER MOD Single : A 165 ASN : amide:sc= -6.81! C(o=-6.8!,f=-15!) USER MOD Single : A 171 SER OG : rot 30:sc= 0.198 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 175 MET CE :methyl -110:sc= -0.133 (180deg=-2.35!) USER MOD Single : A 177 ASN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -7.640 10.225 6.695 1.00 0.00 N ATOM 130 CA GLN A 100 -7.788 8.744 6.576 1.00 0.00 C ATOM 131 C GLN A 100 -6.564 8.063 7.192 1.00 0.00 C ATOM 132 O GLN A 100 -5.467 8.587 7.149 1.00 0.00 O ATOM 133 CB GLN A 100 -7.878 8.364 5.096 1.00 0.00 C ATOM 134 CG GLN A 100 -9.090 9.047 4.461 1.00 0.00 C ATOM 135 CD GLN A 100 -9.177 8.668 2.980 1.00 0.00 C ATOM 136 OE1 GLN A 100 -9.797 7.685 2.630 1.00 0.00 O ATOM 137 NE2 GLN A 100 -8.575 9.410 2.092 1.00 0.00 N ATOM 0 HA GLN A 100 -8.690 8.423 7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.967 8.663 4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.963 7.282 4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.001 8.746 4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.006 10.129 4.565 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.054 10.236 2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.625 9.164 1.103 1.00 0.00 H new ATOM 146 N SER A 101 -6.726 6.897 7.754 1.00 0.00 N ATOM 147 CA SER A 101 -5.548 6.204 8.350 1.00 0.00 C ATOM 148 C SER A 101 -4.752 5.531 7.228 1.00 0.00 C ATOM 149 O SER A 101 -5.255 5.326 6.142 1.00 0.00 O ATOM 150 CB SER A 101 -6.016 5.152 9.358 1.00 0.00 C ATOM 151 OG SER A 101 -6.242 3.921 8.685 1.00 0.00 O ATOM 0 H SER A 101 -7.613 6.398 7.826 1.00 0.00 H new ATOM 0 HA SER A 101 -4.918 6.928 8.868 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.266 5.020 10.138 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.931 5.484 9.849 1.00 0.00 H new ATOM 0 HG SER A 101 -6.540 3.246 9.330 1.00 0.00 H new ATOM 157 N TYR A 102 -3.517 5.196 7.471 1.00 0.00 N ATOM 158 CA TYR A 102 -2.699 4.551 6.402 1.00 0.00 C ATOM 159 C TYR A 102 -3.306 3.202 6.007 1.00 0.00 C ATOM 160 O TYR A 102 -3.297 2.824 4.853 1.00 0.00 O ATOM 161 CB TYR A 102 -1.274 4.349 6.911 1.00 0.00 C ATOM 162 CG TYR A 102 -0.605 5.697 7.050 1.00 0.00 C ATOM 163 CD1 TYR A 102 -0.311 6.449 5.907 1.00 0.00 C ATOM 164 CD2 TYR A 102 -0.283 6.199 8.318 1.00 0.00 C ATOM 165 CE1 TYR A 102 0.300 7.702 6.032 1.00 0.00 C ATOM 166 CE2 TYR A 102 0.329 7.452 8.443 1.00 0.00 C ATOM 167 CZ TYR A 102 0.620 8.204 7.299 1.00 0.00 C ATOM 168 OH TYR A 102 1.224 9.442 7.418 1.00 0.00 O ATOM 0 H TYR A 102 -3.038 5.339 8.360 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.687 5.196 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.287 3.834 7.872 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.713 3.720 6.220 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.556 6.063 4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.507 5.618 9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.525 8.283 5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.576 7.838 9.421 1.00 0.00 H new ATOM 0 HH TYR A 102 1.377 9.642 8.365 1.00 0.00 H new ATOM 178 N ALA A 103 -3.836 2.475 6.946 1.00 0.00 N ATOM 179 CA ALA A 103 -4.441 1.154 6.610 1.00 0.00 C ATOM 180 C ALA A 103 -5.471 1.320 5.483 1.00 0.00 C ATOM 181 O ALA A 103 -5.558 0.498 4.591 1.00 0.00 O ATOM 182 CB ALA A 103 -5.130 0.582 7.853 1.00 0.00 C ATOM 0 H ALA A 103 -3.878 2.735 7.931 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.657 0.473 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.574 -0.384 7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.397 0.455 8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.911 1.267 8.184 1.00 0.00 H new ATOM 188 N GLU A 104 -6.255 2.362 5.520 1.00 0.00 N ATOM 189 CA GLU A 104 -7.277 2.551 4.451 1.00 0.00 C ATOM 190 C GLU A 104 -6.588 2.790 3.108 1.00 0.00 C ATOM 191 O GLU A 104 -6.956 2.217 2.101 1.00 0.00 O ATOM 192 CB GLU A 104 -8.160 3.754 4.790 1.00 0.00 C ATOM 193 CG GLU A 104 -8.904 3.484 6.098 1.00 0.00 C ATOM 194 CD GLU A 104 -10.045 4.491 6.262 1.00 0.00 C ATOM 195 OE1 GLU A 104 -10.177 5.357 5.414 1.00 0.00 O ATOM 196 OE2 GLU A 104 -10.770 4.378 7.236 1.00 0.00 O ATOM 0 H GLU A 104 -6.233 3.086 6.238 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.892 1.654 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.550 4.652 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.872 3.935 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.300 2.468 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.216 3.559 6.940 1.00 0.00 H new ATOM 203 N LEU A 105 -5.598 3.632 3.084 1.00 0.00 N ATOM 204 CA LEU A 105 -4.889 3.909 1.807 1.00 0.00 C ATOM 205 C LEU A 105 -4.197 2.633 1.319 1.00 0.00 C ATOM 206 O LEU A 105 -4.270 2.281 0.158 1.00 0.00 O ATOM 207 CB LEU A 105 -3.845 5.000 2.045 1.00 0.00 C ATOM 208 CG LEU A 105 -4.542 6.297 2.483 1.00 0.00 C ATOM 209 CD1 LEU A 105 -3.551 7.194 3.229 1.00 0.00 C ATOM 210 CD2 LEU A 105 -5.058 7.048 1.252 1.00 0.00 C ATOM 0 H LEU A 105 -5.248 4.142 3.895 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.602 4.241 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.138 4.679 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.272 5.173 1.134 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.375 6.044 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.052 8.112 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.179 6.671 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.716 7.439 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.552 7.967 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.221 7.292 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.769 6.420 0.714 1.00 0.00 H new ATOM 222 N ILE A 106 -3.531 1.937 2.198 1.00 0.00 N ATOM 223 CA ILE A 106 -2.839 0.683 1.787 1.00 0.00 C ATOM 224 C ILE A 106 -3.857 -0.315 1.230 1.00 0.00 C ATOM 225 O ILE A 106 -3.637 -0.930 0.205 1.00 0.00 O ATOM 226 CB ILE A 106 -2.152 0.057 3.003 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.071 1.003 3.534 1.00 0.00 C ATOM 228 CG2 ILE A 106 -1.508 -1.273 2.605 1.00 0.00 C ATOM 229 CD1 ILE A 106 -0.535 0.459 4.859 1.00 0.00 C ATOM 0 H ILE A 106 -3.436 2.182 3.183 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.101 0.921 1.021 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.896 -0.116 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.261 1.093 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.483 2.002 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.020 -1.715 3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.276 -1.953 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.769 -1.100 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.235 1.128 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.349 0.392 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.109 -0.531 4.700 1.00 0.00 H new ATOM 241 N SER A 107 -4.955 -0.497 1.908 1.00 0.00 N ATOM 242 CA SER A 107 -5.972 -1.478 1.433 1.00 0.00 C ATOM 243 C SER A 107 -6.389 -1.158 -0.007 1.00 0.00 C ATOM 244 O SER A 107 -6.597 -2.047 -0.809 1.00 0.00 O ATOM 245 CB SER A 107 -7.193 -1.435 2.350 1.00 0.00 C ATOM 246 OG SER A 107 -7.871 -0.200 2.175 1.00 0.00 O ATOM 0 H SER A 107 -5.193 -0.009 2.771 1.00 0.00 H new ATOM 0 HA SER A 107 -5.537 -2.477 1.456 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.862 -2.265 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.885 -1.549 3.389 1.00 0.00 H new ATOM 0 HG SER A 107 -7.216 0.519 2.054 1.00 0.00 H new ATOM 252 N GLN A 108 -6.509 0.096 -0.350 1.00 0.00 N ATOM 253 CA GLN A 108 -6.907 0.442 -1.749 1.00 0.00 C ATOM 254 C GLN A 108 -5.877 -0.121 -2.726 1.00 0.00 C ATOM 255 O GLN A 108 -6.216 -0.679 -3.750 1.00 0.00 O ATOM 256 CB GLN A 108 -6.950 1.966 -1.923 1.00 0.00 C ATOM 257 CG GLN A 108 -8.081 2.566 -1.087 1.00 0.00 C ATOM 258 CD GLN A 108 -9.426 2.003 -1.551 1.00 0.00 C ATOM 259 OE1 GLN A 108 -9.598 1.682 -2.709 1.00 0.00 O ATOM 260 NE2 GLN A 108 -10.392 1.874 -0.688 1.00 0.00 N ATOM 0 H GLN A 108 -6.351 0.891 0.270 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.892 0.018 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.997 2.400 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.095 2.214 -2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.926 2.338 -0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.079 3.652 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -10.246 2.144 0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -11.295 1.503 -0.985 1.00 0.00 H new ATOM 269 N ALA A 109 -4.616 0.033 -2.422 1.00 0.00 N ATOM 270 CA ALA A 109 -3.555 -0.476 -3.335 1.00 0.00 C ATOM 271 C ALA A 109 -3.750 -1.972 -3.598 1.00 0.00 C ATOM 272 O ALA A 109 -3.769 -2.414 -4.729 1.00 0.00 O ATOM 273 CB ALA A 109 -2.187 -0.251 -2.684 1.00 0.00 C ATOM 0 H ALA A 109 -4.275 0.491 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.614 0.058 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.404 -0.621 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.039 0.814 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.143 -0.786 -1.735 1.00 0.00 H new ATOM 279 N ILE A 110 -3.877 -2.756 -2.565 1.00 0.00 N ATOM 280 CA ILE A 110 -4.048 -4.220 -2.769 1.00 0.00 C ATOM 281 C ILE A 110 -5.360 -4.493 -3.507 1.00 0.00 C ATOM 282 O ILE A 110 -5.405 -5.272 -4.439 1.00 0.00 O ATOM 283 CB ILE A 110 -4.042 -4.931 -1.412 1.00 0.00 C ATOM 284 CG1 ILE A 110 -2.716 -4.610 -0.698 1.00 0.00 C ATOM 285 CG2 ILE A 110 -4.176 -6.450 -1.631 1.00 0.00 C ATOM 286 CD1 ILE A 110 -2.658 -5.290 0.677 1.00 0.00 C ATOM 0 H ILE A 110 -3.870 -2.448 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.224 -4.601 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.877 -4.591 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.878 -4.945 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.613 -3.531 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.172 -6.958 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.111 -6.662 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.340 -6.806 -2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.712 -5.049 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.484 -4.935 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.737 -6.370 0.552 1.00 0.00 H new ATOM 298 N GLU A 111 -6.430 -3.861 -3.109 1.00 0.00 N ATOM 299 CA GLU A 111 -7.730 -4.095 -3.804 1.00 0.00 C ATOM 300 C GLU A 111 -7.632 -3.651 -5.267 1.00 0.00 C ATOM 301 O GLU A 111 -8.413 -4.063 -6.098 1.00 0.00 O ATOM 302 CB GLU A 111 -8.845 -3.308 -3.109 1.00 0.00 C ATOM 303 CG GLU A 111 -9.119 -3.910 -1.729 1.00 0.00 C ATOM 304 CD GLU A 111 -10.339 -3.230 -1.104 1.00 0.00 C ATOM 305 OE1 GLU A 111 -10.709 -2.168 -1.575 1.00 0.00 O ATOM 306 OE2 GLU A 111 -10.888 -3.783 -0.167 1.00 0.00 O ATOM 0 H GLU A 111 -6.462 -3.196 -2.337 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.959 -5.160 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.557 -2.262 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.752 -3.332 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.293 -4.982 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.249 -3.781 -1.086 1.00 0.00 H new ATOM 313 N SER A 112 -6.691 -2.802 -5.587 1.00 0.00 N ATOM 314 CA SER A 112 -6.569 -2.326 -6.994 1.00 0.00 C ATOM 315 C SER A 112 -5.954 -3.422 -7.875 1.00 0.00 C ATOM 316 O SER A 112 -6.286 -3.550 -9.037 1.00 0.00 O ATOM 317 CB SER A 112 -5.681 -1.078 -7.025 1.00 0.00 C ATOM 318 OG SER A 112 -4.314 -1.469 -7.020 1.00 0.00 O ATOM 0 H SER A 112 -6.005 -2.419 -4.937 1.00 0.00 H new ATOM 0 HA SER A 112 -7.560 -2.085 -7.380 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.898 -0.486 -7.914 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.893 -0.446 -6.162 1.00 0.00 H new ATOM 0 HG SER A 112 -4.159 -2.108 -6.294 1.00 0.00 H new ATOM 324 N ALA A 113 -5.065 -4.211 -7.338 1.00 0.00 N ATOM 325 CA ALA A 113 -4.436 -5.292 -8.152 1.00 0.00 C ATOM 326 C ALA A 113 -5.442 -6.431 -8.389 1.00 0.00 C ATOM 327 O ALA A 113 -6.238 -6.746 -7.530 1.00 0.00 O ATOM 328 CB ALA A 113 -3.221 -5.844 -7.404 1.00 0.00 C ATOM 0 H ALA A 113 -4.746 -4.155 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.129 -4.880 -9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.758 -6.634 -7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.500 -5.043 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.538 -6.248 -6.443 1.00 0.00 H new ATOM 334 N PRO A 114 -5.390 -7.060 -9.538 1.00 0.00 N ATOM 335 CA PRO A 114 -6.298 -8.200 -9.871 1.00 0.00 C ATOM 336 C PRO A 114 -5.976 -9.457 -9.048 1.00 0.00 C ATOM 337 O PRO A 114 -6.857 -10.196 -8.654 1.00 0.00 O ATOM 338 CB PRO A 114 -6.031 -8.456 -11.361 1.00 0.00 C ATOM 339 CG PRO A 114 -4.656 -7.925 -11.609 1.00 0.00 C ATOM 340 CD PRO A 114 -4.470 -6.754 -10.647 1.00 0.00 C ATOM 0 HA PRO A 114 -7.339 -7.966 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -6.091 -9.519 -11.595 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -6.767 -7.950 -11.986 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.904 -8.695 -11.435 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.545 -7.600 -12.643 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.439 -6.680 -10.302 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.717 -5.804 -11.121 1.00 0.00 H new ATOM 348 N GLU A 115 -4.719 -9.710 -8.800 1.00 0.00 N ATOM 349 CA GLU A 115 -4.336 -10.925 -8.020 1.00 0.00 C ATOM 350 C GLU A 115 -4.647 -10.740 -6.532 1.00 0.00 C ATOM 351 O GLU A 115 -4.739 -11.699 -5.792 1.00 0.00 O ATOM 352 CB GLU A 115 -2.840 -11.184 -8.187 1.00 0.00 C ATOM 353 CG GLU A 115 -2.532 -11.444 -9.664 1.00 0.00 C ATOM 354 CD GLU A 115 -1.127 -12.037 -9.790 1.00 0.00 C ATOM 355 OE1 GLU A 115 -0.179 -11.267 -9.805 1.00 0.00 O ATOM 356 OE2 GLU A 115 -1.020 -13.250 -9.869 1.00 0.00 O ATOM 0 H GLU A 115 -3.939 -9.127 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 115 -4.911 -11.771 -8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.269 -10.327 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.538 -12.041 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.268 -12.129 -10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.600 -10.515 -10.231 1.00 0.00 H new ATOM 363 N LYS A 116 -4.795 -9.522 -6.088 1.00 0.00 N ATOM 364 CA LYS A 116 -5.083 -9.270 -4.643 1.00 0.00 C ATOM 365 C LYS A 116 -3.835 -9.596 -3.818 1.00 0.00 C ATOM 366 O LYS A 116 -3.922 -10.107 -2.721 1.00 0.00 O ATOM 367 CB LYS A 116 -6.243 -10.152 -4.153 1.00 0.00 C ATOM 368 CG LYS A 116 -7.420 -10.072 -5.129 1.00 0.00 C ATOM 369 CD LYS A 116 -7.893 -8.624 -5.247 1.00 0.00 C ATOM 370 CE LYS A 116 -9.260 -8.593 -5.931 1.00 0.00 C ATOM 371 NZ LYS A 116 -10.286 -9.146 -5.003 1.00 0.00 N ATOM 0 H LYS A 116 -4.729 -8.684 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.361 -8.223 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.909 -11.185 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.561 -9.829 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.120 -10.448 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.237 -10.704 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -7.958 -8.169 -4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.173 -8.040 -5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.517 -7.571 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.233 -9.177 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.218 -8.748 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.318 -10.181 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.040 -8.895 -4.024 1.00 0.00 H new ATOM 385 N ARG A 117 -2.674 -9.291 -4.337 1.00 0.00 N ATOM 386 CA ARG A 117 -1.413 -9.578 -3.592 1.00 0.00 C ATOM 387 C ARG A 117 -0.310 -8.625 -4.080 1.00 0.00 C ATOM 388 O ARG A 117 -0.109 -8.458 -5.266 1.00 0.00 O ATOM 389 CB ARG A 117 -0.965 -11.022 -3.871 1.00 0.00 C ATOM 390 CG ARG A 117 -2.049 -12.023 -3.451 1.00 0.00 C ATOM 391 CD ARG A 117 -1.413 -13.399 -3.246 1.00 0.00 C ATOM 392 NE ARG A 117 -0.411 -13.654 -4.329 1.00 0.00 N ATOM 393 CZ ARG A 117 -0.761 -13.671 -5.583 1.00 0.00 C ATOM 394 NH1 ARG A 117 -2.021 -13.620 -5.911 1.00 0.00 N ATOM 395 NH2 ARG A 117 0.150 -13.785 -6.511 1.00 0.00 N ATOM 0 H ARG A 117 -2.545 -8.853 -5.249 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.588 -9.442 -2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.747 -11.140 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.042 -11.231 -3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.530 -11.691 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.825 -12.078 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.929 -13.446 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.182 -14.172 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 117 0.564 -13.818 -4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -2.735 -13.567 -5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -2.293 -13.633 -6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.134 -13.861 -6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -0.122 -13.799 -7.494 1.00 0.00 H new ATOM 409 N LEU A 118 0.415 -8.011 -3.176 1.00 0.00 N ATOM 410 CA LEU A 118 1.514 -7.080 -3.593 1.00 0.00 C ATOM 411 C LEU A 118 2.657 -7.155 -2.576 1.00 0.00 C ATOM 412 O LEU A 118 2.449 -7.463 -1.419 1.00 0.00 O ATOM 413 CB LEU A 118 1.007 -5.631 -3.635 1.00 0.00 C ATOM 414 CG LEU A 118 0.159 -5.368 -4.887 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.327 -3.911 -4.862 1.00 0.00 C ATOM 416 CD2 LEU A 118 0.995 -5.603 -6.158 1.00 0.00 C ATOM 0 H LEU A 118 0.294 -8.113 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 118 1.857 -7.377 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.415 -5.426 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.855 -4.947 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.692 -6.050 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.931 -3.714 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.928 -3.743 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.533 -3.241 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.381 -5.413 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.851 -4.928 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.346 -6.635 -6.177 1.00 0.00 H new ATOM 428 N THR A 119 3.860 -6.860 -2.994 1.00 0.00 N ATOM 429 CA THR A 119 5.011 -6.899 -2.043 1.00 0.00 C ATOM 430 C THR A 119 5.184 -5.523 -1.391 1.00 0.00 C ATOM 431 O THR A 119 4.532 -4.567 -1.759 1.00 0.00 O ATOM 432 CB THR A 119 6.294 -7.268 -2.795 1.00 0.00 C ATOM 433 OG1 THR A 119 6.378 -6.506 -3.989 1.00 0.00 O ATOM 434 CG2 THR A 119 6.284 -8.761 -3.136 1.00 0.00 C ATOM 0 H THR A 119 4.095 -6.594 -3.950 1.00 0.00 H new ATOM 0 HA THR A 119 4.814 -7.647 -1.275 1.00 0.00 H new ATOM 0 HB THR A 119 7.157 -7.051 -2.165 1.00 0.00 H new ATOM 0 HG1 THR A 119 5.824 -6.922 -4.682 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.198 -9.018 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.225 -9.344 -2.217 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.421 -8.985 -3.764 1.00 0.00 H new ATOM 442 N LEU A 120 6.054 -5.414 -0.422 1.00 0.00 N ATOM 443 CA LEU A 120 6.261 -4.098 0.250 1.00 0.00 C ATOM 444 C LEU A 120 6.728 -3.058 -0.776 1.00 0.00 C ATOM 445 O LEU A 120 6.242 -1.946 -0.808 1.00 0.00 O ATOM 446 CB LEU A 120 7.322 -4.247 1.347 1.00 0.00 C ATOM 447 CG LEU A 120 7.401 -2.952 2.164 1.00 0.00 C ATOM 448 CD1 LEU A 120 6.113 -2.764 2.980 1.00 0.00 C ATOM 449 CD2 LEU A 120 8.603 -3.019 3.113 1.00 0.00 C ATOM 0 H LEU A 120 6.629 -6.178 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 120 5.321 -3.768 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.072 -5.085 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.292 -4.468 0.902 1.00 0.00 H new ATOM 0 HG LEU A 120 7.518 -2.108 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.179 -1.841 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.259 -2.709 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.986 -3.608 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.660 -2.099 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.487 -3.867 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.518 -3.139 2.533 1.00 0.00 H new ATOM 461 N ALA A 121 7.675 -3.407 -1.606 1.00 0.00 N ATOM 462 CA ALA A 121 8.179 -2.432 -2.621 1.00 0.00 C ATOM 463 C ALA A 121 7.039 -1.967 -3.534 1.00 0.00 C ATOM 464 O ALA A 121 6.956 -0.809 -3.895 1.00 0.00 O ATOM 465 CB ALA A 121 9.269 -3.093 -3.467 1.00 0.00 C ATOM 0 H ALA A 121 8.122 -4.324 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 121 8.588 -1.566 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.636 -2.382 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.091 -3.404 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.857 -3.965 -3.975 1.00 0.00 H new ATOM 471 N GLN A 122 6.167 -2.859 -3.924 1.00 0.00 N ATOM 472 CA GLN A 122 5.050 -2.471 -4.827 1.00 0.00 C ATOM 473 C GLN A 122 4.119 -1.495 -4.113 1.00 0.00 C ATOM 474 O GLN A 122 3.607 -0.563 -4.705 1.00 0.00 O ATOM 475 CB GLN A 122 4.288 -3.730 -5.227 1.00 0.00 C ATOM 476 CG GLN A 122 5.171 -4.569 -6.152 1.00 0.00 C ATOM 477 CD GLN A 122 4.427 -5.837 -6.564 1.00 0.00 C ATOM 478 OE1 GLN A 122 4.529 -6.853 -5.907 1.00 0.00 O ATOM 479 NE2 GLN A 122 3.670 -5.817 -7.626 1.00 0.00 N ATOM 0 H GLN A 122 6.183 -3.842 -3.654 1.00 0.00 H new ATOM 0 HA GLN A 122 5.443 -1.981 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.017 -4.304 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.359 -3.464 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.441 -3.991 -7.036 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.100 -4.830 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 122 3.586 -4.962 -8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 122 3.162 -6.656 -7.906 1.00 0.00 H new ATOM 488 N ILE A 123 3.903 -1.688 -2.844 1.00 0.00 N ATOM 489 CA ILE A 123 3.018 -0.756 -2.096 1.00 0.00 C ATOM 490 C ILE A 123 3.617 0.646 -2.159 1.00 0.00 C ATOM 491 O ILE A 123 2.933 1.619 -2.406 1.00 0.00 O ATOM 492 CB ILE A 123 2.939 -1.188 -0.631 1.00 0.00 C ATOM 493 CG1 ILE A 123 2.217 -2.532 -0.517 1.00 0.00 C ATOM 494 CG2 ILE A 123 2.179 -0.133 0.177 1.00 0.00 C ATOM 495 CD1 ILE A 123 2.311 -3.043 0.926 1.00 0.00 C ATOM 0 H ILE A 123 4.300 -2.449 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 123 2.021 -0.766 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 123 3.951 -1.291 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.172 -2.421 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.663 -3.255 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.124 -0.444 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.700 0.822 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.171 -0.025 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.797 -4.001 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.358 -3.169 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.845 -2.323 1.598 1.00 0.00 H new ATOM 507 N TYR A 124 4.896 0.750 -1.925 1.00 0.00 N ATOM 508 CA TYR A 124 5.555 2.081 -1.960 1.00 0.00 C ATOM 509 C TYR A 124 5.379 2.711 -3.342 1.00 0.00 C ATOM 510 O TYR A 124 4.917 3.828 -3.471 1.00 0.00 O ATOM 511 CB TYR A 124 7.055 1.915 -1.661 1.00 0.00 C ATOM 512 CG TYR A 124 7.286 1.651 -0.184 1.00 0.00 C ATOM 513 CD1 TYR A 124 6.652 2.433 0.793 1.00 0.00 C ATOM 514 CD2 TYR A 124 8.149 0.616 0.208 1.00 0.00 C ATOM 515 CE1 TYR A 124 6.881 2.174 2.151 1.00 0.00 C ATOM 516 CE2 TYR A 124 8.376 0.362 1.566 1.00 0.00 C ATOM 517 CZ TYR A 124 7.741 1.142 2.536 1.00 0.00 C ATOM 518 OH TYR A 124 7.960 0.892 3.877 1.00 0.00 O ATOM 0 H TYR A 124 5.513 -0.033 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 124 5.100 2.728 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.458 1.091 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 124 7.592 2.814 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.989 3.233 0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 124 8.640 0.013 -0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.391 2.774 2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 124 9.041 -0.435 1.863 1.00 0.00 H new ATOM 0 HH TYR A 124 7.689 1.673 4.404 1.00 0.00 H new ATOM 528 N GLU A 125 5.745 2.009 -4.376 1.00 0.00 N ATOM 529 CA GLU A 125 5.607 2.574 -5.749 1.00 0.00 C ATOM 530 C GLU A 125 4.148 2.923 -6.048 1.00 0.00 C ATOM 531 O GLU A 125 3.859 3.901 -6.704 1.00 0.00 O ATOM 532 CB GLU A 125 6.103 1.555 -6.776 1.00 0.00 C ATOM 533 CG GLU A 125 7.622 1.428 -6.676 1.00 0.00 C ATOM 534 CD GLU A 125 8.115 0.404 -7.697 1.00 0.00 C ATOM 535 OE1 GLU A 125 8.256 0.770 -8.852 1.00 0.00 O ATOM 536 OE2 GLU A 125 8.338 -0.729 -7.311 1.00 0.00 O ATOM 0 H GLU A 125 6.134 1.067 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 125 6.205 3.484 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.634 0.587 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.819 1.868 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.091 2.395 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.907 1.120 -5.670 1.00 0.00 H new ATOM 543 N TRP A 126 3.224 2.125 -5.591 1.00 0.00 N ATOM 544 CA TRP A 126 1.792 2.416 -5.877 1.00 0.00 C ATOM 545 C TRP A 126 1.412 3.789 -5.317 1.00 0.00 C ATOM 546 O TRP A 126 0.862 4.620 -6.012 1.00 0.00 O ATOM 547 CB TRP A 126 0.919 1.339 -5.226 1.00 0.00 C ATOM 548 CG TRP A 126 -0.516 1.587 -5.561 1.00 0.00 C ATOM 549 CD1 TRP A 126 -1.108 1.244 -6.728 1.00 0.00 C ATOM 550 CD2 TRP A 126 -1.548 2.217 -4.747 1.00 0.00 C ATOM 551 NE1 TRP A 126 -2.436 1.625 -6.683 1.00 0.00 N ATOM 552 CE2 TRP A 126 -2.755 2.230 -5.482 1.00 0.00 C ATOM 553 CE3 TRP A 126 -1.551 2.771 -3.456 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -3.926 2.777 -4.955 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -2.725 3.322 -2.921 1.00 0.00 C ATOM 556 CH2 TRP A 126 -3.911 3.326 -3.668 1.00 0.00 C ATOM 0 H TRP A 126 3.397 1.288 -5.035 1.00 0.00 H new ATOM 0 HA TRP A 126 1.635 2.418 -6.956 1.00 0.00 H new ATOM 0 HB2 TRP A 126 1.219 0.352 -5.577 1.00 0.00 H new ATOM 0 HB3 TRP A 126 1.057 1.349 -4.145 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -0.623 0.753 -7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.100 1.478 -7.443 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -0.643 2.773 -2.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -4.836 2.777 -5.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -2.715 3.746 -1.928 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -4.812 3.752 -3.251 1.00 0.00 H new ATOM 567 N MET A 127 1.695 4.032 -4.069 1.00 0.00 N ATOM 568 CA MET A 127 1.343 5.351 -3.469 1.00 0.00 C ATOM 569 C MET A 127 2.044 6.487 -4.220 1.00 0.00 C ATOM 570 O MET A 127 1.469 7.532 -4.451 1.00 0.00 O ATOM 571 CB MET A 127 1.753 5.370 -1.997 1.00 0.00 C ATOM 572 CG MET A 127 0.826 4.444 -1.212 1.00 0.00 C ATOM 573 SD MET A 127 1.168 4.580 0.559 1.00 0.00 S ATOM 574 CE MET A 127 -0.326 3.726 1.127 1.00 0.00 C ATOM 0 H MET A 127 2.154 3.376 -3.437 1.00 0.00 H new ATOM 0 HA MET A 127 0.266 5.497 -3.548 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.788 5.046 -1.890 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.694 6.384 -1.603 1.00 0.00 H new ATOM 0 HG2 MET A 127 -0.214 4.704 -1.411 1.00 0.00 H new ATOM 0 HG3 MET A 127 0.966 3.414 -1.539 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.405 3.812 2.211 1.00 0.00 H new ATOM 0 HE2 MET A 127 -1.202 4.178 0.663 1.00 0.00 H new ATOM 0 HE3 MET A 127 -0.271 2.673 0.850 1.00 0.00 H new ATOM 584 N VAL A 128 3.278 6.303 -4.592 1.00 0.00 N ATOM 585 CA VAL A 128 4.004 7.389 -5.312 1.00 0.00 C ATOM 586 C VAL A 128 3.375 7.630 -6.692 1.00 0.00 C ATOM 587 O VAL A 128 3.144 8.757 -7.084 1.00 0.00 O ATOM 588 CB VAL A 128 5.478 6.998 -5.459 1.00 0.00 C ATOM 589 CG1 VAL A 128 6.214 8.052 -6.291 1.00 0.00 C ATOM 590 CG2 VAL A 128 6.114 6.917 -4.067 1.00 0.00 C ATOM 0 H VAL A 128 3.816 5.452 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 128 3.930 8.313 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 128 5.550 6.032 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 128 7.262 7.769 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.759 8.118 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.146 9.020 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 128 7.164 6.639 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 128 6.039 7.887 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 128 5.593 6.167 -3.472 1.00 0.00 H new ATOM 600 N ARG A 129 3.098 6.590 -7.439 1.00 0.00 N ATOM 601 CA ARG A 129 2.489 6.786 -8.791 1.00 0.00 C ATOM 602 C ARG A 129 0.997 7.130 -8.666 1.00 0.00 C ATOM 603 O ARG A 129 0.429 7.780 -9.522 1.00 0.00 O ATOM 604 CB ARG A 129 2.666 5.512 -9.627 1.00 0.00 C ATOM 605 CG ARG A 129 1.390 4.672 -9.590 1.00 0.00 C ATOM 606 CD ARG A 129 1.648 3.330 -10.265 1.00 0.00 C ATOM 607 NE ARG A 129 2.372 2.420 -9.335 1.00 0.00 N ATOM 608 CZ ARG A 129 2.296 1.129 -9.499 1.00 0.00 C ATOM 609 NH1 ARG A 129 1.546 0.633 -10.447 1.00 0.00 N ATOM 610 NH2 ARG A 129 2.962 0.332 -8.710 1.00 0.00 N ATOM 0 H ARG A 129 3.266 5.620 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 129 2.994 7.616 -9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.906 5.775 -10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.504 4.930 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.073 4.518 -8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.581 5.197 -10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.703 2.878 -10.566 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.234 3.477 -11.172 1.00 0.00 H new ATOM 0 HE ARG A 129 2.926 2.806 -8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.019 1.256 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.487 -0.377 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.542 0.719 -7.965 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.903 -0.678 -8.838 1.00 0.00 H new ATOM 624 N THR A 130 0.349 6.672 -7.628 1.00 0.00 N ATOM 625 CA THR A 130 -1.109 6.950 -7.478 1.00 0.00 C ATOM 626 C THR A 130 -1.327 8.354 -6.909 1.00 0.00 C ATOM 627 O THR A 130 -2.147 9.106 -7.401 1.00 0.00 O ATOM 628 CB THR A 130 -1.728 5.910 -6.538 1.00 0.00 C ATOM 629 OG1 THR A 130 -1.411 4.606 -7.004 1.00 0.00 O ATOM 630 CG2 THR A 130 -3.246 6.083 -6.508 1.00 0.00 C ATOM 0 H THR A 130 0.765 6.119 -6.879 1.00 0.00 H new ATOM 0 HA THR A 130 -1.586 6.892 -8.457 1.00 0.00 H new ATOM 0 HB THR A 130 -1.329 6.047 -5.533 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.535 4.338 -6.655 1.00 0.00 H new ATOM 0 HG21 THR A 130 -3.683 5.342 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 130 -3.491 7.084 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.648 5.947 -7.512 1.00 0.00 H new ATOM 638 N VAL A 131 -0.613 8.720 -5.880 1.00 0.00 N ATOM 639 CA VAL A 131 -0.803 10.083 -5.299 1.00 0.00 C ATOM 640 C VAL A 131 0.143 11.074 -5.993 1.00 0.00 C ATOM 641 O VAL A 131 1.342 10.882 -5.996 1.00 0.00 O ATOM 642 CB VAL A 131 -0.482 10.052 -3.804 1.00 0.00 C ATOM 643 CG1 VAL A 131 -0.754 11.430 -3.198 1.00 0.00 C ATOM 644 CG2 VAL A 131 -1.366 9.011 -3.108 1.00 0.00 C ATOM 0 H VAL A 131 0.089 8.141 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 131 -1.837 10.395 -5.447 1.00 0.00 H new ATOM 0 HB VAL A 131 0.567 9.789 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.526 11.410 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.127 12.174 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -1.803 11.689 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.135 8.991 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -2.415 9.273 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.178 8.027 -3.538 1.00 0.00 H new ATOM 654 N PRO A 132 -0.376 12.131 -6.575 1.00 0.00 N ATOM 655 CA PRO A 132 0.474 13.142 -7.268 1.00 0.00 C ATOM 656 C PRO A 132 1.299 13.987 -6.287 1.00 0.00 C ATOM 657 O PRO A 132 2.423 14.355 -6.562 1.00 0.00 O ATOM 658 CB PRO A 132 -0.528 14.020 -8.029 1.00 0.00 C ATOM 659 CG PRO A 132 -1.837 13.851 -7.323 1.00 0.00 C ATOM 660 CD PRO A 132 -1.810 12.480 -6.640 1.00 0.00 C ATOM 0 HA PRO A 132 1.208 12.666 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.214 15.064 -8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -0.604 13.713 -9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.983 14.644 -6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.665 13.913 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.254 12.523 -5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -2.374 11.741 -7.210 1.00 0.00 H new ATOM 668 N TYR A 133 0.737 14.301 -5.157 1.00 0.00 N ATOM 669 CA TYR A 133 1.459 15.132 -4.151 1.00 0.00 C ATOM 670 C TYR A 133 2.755 14.442 -3.701 1.00 0.00 C ATOM 671 O TYR A 133 3.711 15.093 -3.334 1.00 0.00 O ATOM 672 CB TYR A 133 0.547 15.340 -2.936 1.00 0.00 C ATOM 673 CG TYR A 133 0.895 16.635 -2.238 1.00 0.00 C ATOM 674 CD1 TYR A 133 0.671 17.857 -2.883 1.00 0.00 C ATOM 675 CD2 TYR A 133 1.425 16.615 -0.942 1.00 0.00 C ATOM 676 CE1 TYR A 133 0.980 19.059 -2.235 1.00 0.00 C ATOM 677 CE2 TYR A 133 1.732 17.817 -0.292 1.00 0.00 C ATOM 678 CZ TYR A 133 1.508 19.040 -0.938 1.00 0.00 C ATOM 679 OH TYR A 133 1.805 20.227 -0.297 1.00 0.00 O ATOM 0 H TYR A 133 -0.203 14.015 -4.882 1.00 0.00 H new ATOM 0 HA TYR A 133 1.717 16.090 -4.603 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.496 15.358 -3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 133 0.655 14.505 -2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 133 0.259 17.873 -3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.597 15.672 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 133 0.811 20.001 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.141 17.801 0.707 1.00 0.00 H new ATOM 0 HH TYR A 133 2.162 20.036 0.596 1.00 0.00 H new ATOM 689 N PHE A 134 2.796 13.134 -3.698 1.00 0.00 N ATOM 690 CA PHE A 134 4.040 12.439 -3.236 1.00 0.00 C ATOM 691 C PHE A 134 5.026 12.251 -4.393 1.00 0.00 C ATOM 692 O PHE A 134 6.161 11.874 -4.183 1.00 0.00 O ATOM 693 CB PHE A 134 3.678 11.080 -2.623 1.00 0.00 C ATOM 694 CG PHE A 134 3.159 11.293 -1.217 1.00 0.00 C ATOM 695 CD1 PHE A 134 3.974 11.900 -0.253 1.00 0.00 C ATOM 696 CD2 PHE A 134 1.854 10.909 -0.885 1.00 0.00 C ATOM 697 CE1 PHE A 134 3.486 12.117 1.042 1.00 0.00 C ATOM 698 CE2 PHE A 134 1.364 11.130 0.407 1.00 0.00 C ATOM 699 CZ PHE A 134 2.179 11.735 1.370 1.00 0.00 C ATOM 0 H PHE A 134 2.034 12.522 -3.991 1.00 0.00 H new ATOM 0 HA PHE A 134 4.521 13.059 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 134 2.923 10.582 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.553 10.430 -2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 134 4.979 12.201 -0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 134 1.224 10.441 -1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 134 4.117 12.579 1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 134 0.357 10.834 0.661 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.800 11.907 2.367 1.00 0.00 H new ATOM 709 N LYS A 135 4.632 12.520 -5.604 1.00 0.00 N ATOM 710 CA LYS A 135 5.599 12.360 -6.724 1.00 0.00 C ATOM 711 C LYS A 135 6.777 13.312 -6.487 1.00 0.00 C ATOM 712 O LYS A 135 7.918 12.975 -6.730 1.00 0.00 O ATOM 713 CB LYS A 135 4.924 12.685 -8.061 1.00 0.00 C ATOM 714 CG LYS A 135 3.909 11.589 -8.398 1.00 0.00 C ATOM 715 CD LYS A 135 3.340 11.828 -9.798 1.00 0.00 C ATOM 716 CE LYS A 135 2.185 10.858 -10.062 1.00 0.00 C ATOM 717 NZ LYS A 135 1.360 11.372 -11.192 1.00 0.00 N ATOM 0 H LYS A 135 3.699 12.838 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 135 5.952 11.329 -6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 135 4.425 13.653 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.672 12.758 -8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 135 4.387 10.610 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 135 3.104 11.587 -7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.991 12.857 -9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 135 4.121 11.690 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 135 2.573 9.868 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 135 1.572 10.752 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.574 10.716 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 0.979 12.308 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.950 11.451 -12.045 1.00 0.00 H new ATOM 731 N ASP A 136 6.505 14.498 -6.006 1.00 0.00 N ATOM 732 CA ASP A 136 7.602 15.473 -5.743 1.00 0.00 C ATOM 733 C ASP A 136 8.431 15.009 -4.542 1.00 0.00 C ATOM 734 O ASP A 136 9.646 15.014 -4.571 1.00 0.00 O ATOM 735 CB ASP A 136 7.006 16.850 -5.439 1.00 0.00 C ATOM 736 CG ASP A 136 8.136 17.874 -5.319 1.00 0.00 C ATOM 737 OD1 ASP A 136 9.228 17.574 -5.769 1.00 0.00 O ATOM 738 OD2 ASP A 136 7.890 18.943 -4.784 1.00 0.00 O ATOM 0 H ASP A 136 5.567 14.833 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 136 8.240 15.536 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.316 17.143 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 136 6.432 16.814 -4.513 1.00 0.00 H new ATOM 743 N LYS A 137 7.778 14.623 -3.478 1.00 0.00 N ATOM 744 CA LYS A 137 8.515 14.172 -2.264 1.00 0.00 C ATOM 745 C LYS A 137 8.987 12.723 -2.449 1.00 0.00 C ATOM 746 O LYS A 137 9.841 12.246 -1.729 1.00 0.00 O ATOM 747 CB LYS A 137 7.585 14.242 -1.048 1.00 0.00 C ATOM 748 CG LYS A 137 7.085 15.675 -0.841 1.00 0.00 C ATOM 749 CD LYS A 137 6.188 15.710 0.400 1.00 0.00 C ATOM 750 CE LYS A 137 5.748 17.145 0.693 1.00 0.00 C ATOM 751 NZ LYS A 137 5.288 17.235 2.108 1.00 0.00 N ATOM 0 H LYS A 137 6.761 14.601 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 137 9.378 14.819 -2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 137 6.738 13.571 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.114 13.902 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 137 7.928 16.355 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.531 16.012 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.313 15.078 0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 137 6.725 15.304 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.575 17.834 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 137 4.944 17.437 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 4.987 18.209 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.488 16.587 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.068 16.972 2.744 1.00 0.00 H new ATOM 765 N GLY A 138 8.431 12.018 -3.398 1.00 0.00 N ATOM 766 CA GLY A 138 8.841 10.598 -3.616 1.00 0.00 C ATOM 767 C GLY A 138 10.275 10.542 -4.142 1.00 0.00 C ATOM 768 O GLY A 138 11.093 9.782 -3.666 1.00 0.00 O ATOM 0 H GLY A 138 7.711 12.363 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.766 10.042 -2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 138 8.166 10.121 -4.326 1.00 0.00 H new ATOM 772 N ASP A 139 10.587 11.341 -5.122 1.00 0.00 N ATOM 773 CA ASP A 139 11.968 11.335 -5.672 1.00 0.00 C ATOM 774 C ASP A 139 12.872 12.138 -4.741 1.00 0.00 C ATOM 775 O ASP A 139 13.926 12.603 -5.130 1.00 0.00 O ATOM 776 CB ASP A 139 11.970 11.966 -7.068 1.00 0.00 C ATOM 777 CG ASP A 139 11.329 11.001 -8.065 1.00 0.00 C ATOM 778 OD1 ASP A 139 11.637 9.823 -7.995 1.00 0.00 O ATOM 779 OD2 ASP A 139 10.542 11.454 -8.877 1.00 0.00 O ATOM 0 H ASP A 139 9.945 11.998 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 139 12.333 10.311 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 139 11.422 12.908 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 139 12.991 12.196 -7.373 1.00 0.00 H new ATOM 784 N SER A 140 12.464 12.309 -3.513 1.00 0.00 N ATOM 785 CA SER A 140 13.295 13.088 -2.550 1.00 0.00 C ATOM 786 C SER A 140 13.076 12.560 -1.128 1.00 0.00 C ATOM 787 O SER A 140 12.027 12.041 -0.800 1.00 0.00 O ATOM 788 CB SER A 140 12.893 14.562 -2.615 1.00 0.00 C ATOM 789 OG SER A 140 13.668 15.299 -1.678 1.00 0.00 O ATOM 0 H SER A 140 11.591 11.943 -3.134 1.00 0.00 H new ATOM 0 HA SER A 140 14.348 12.982 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 140 13.051 14.950 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.831 14.672 -2.394 1.00 0.00 H new ATOM 0 HG SER A 140 13.073 15.826 -1.105 1.00 0.00 H new ATOM 795 N ASN A 141 14.057 12.696 -0.276 1.00 0.00 N ATOM 796 CA ASN A 141 13.908 12.211 1.128 1.00 0.00 C ATOM 797 C ASN A 141 13.423 13.361 2.010 1.00 0.00 C ATOM 798 O ASN A 141 13.581 13.343 3.215 1.00 0.00 O ATOM 799 CB ASN A 141 15.262 11.717 1.650 1.00 0.00 C ATOM 800 CG ASN A 141 15.643 10.406 0.960 1.00 0.00 C ATOM 801 OD1 ASN A 141 14.787 9.669 0.512 1.00 0.00 O ATOM 802 ND2 ASN A 141 16.905 10.079 0.858 1.00 0.00 N ATOM 0 H ASN A 141 14.958 13.123 -0.492 1.00 0.00 H new ATOM 0 HA ASN A 141 13.187 11.394 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 141 16.028 12.470 1.466 1.00 0.00 H new ATOM 0 HB3 ASN A 141 15.213 11.569 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 141 17.170 9.206 0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 141 17.624 10.697 1.234 1.00 0.00 H new ATOM 809 N SER A 142 12.850 14.374 1.422 1.00 0.00 N ATOM 810 CA SER A 142 12.378 15.534 2.230 1.00 0.00 C ATOM 811 C SER A 142 11.452 15.065 3.361 1.00 0.00 C ATOM 812 O SER A 142 11.511 15.578 4.461 1.00 0.00 O ATOM 813 CB SER A 142 11.624 16.518 1.331 1.00 0.00 C ATOM 814 OG SER A 142 12.514 17.034 0.348 1.00 0.00 O ATOM 0 H SER A 142 12.688 14.449 0.418 1.00 0.00 H new ATOM 0 HA SER A 142 13.247 16.026 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 142 10.783 16.018 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 142 11.212 17.332 1.928 1.00 0.00 H new ATOM 0 HG SER A 142 12.034 17.663 -0.230 1.00 0.00 H new ATOM 820 N SER A 143 10.587 14.112 3.110 1.00 0.00 N ATOM 821 CA SER A 143 9.663 13.651 4.194 1.00 0.00 C ATOM 822 C SER A 143 9.443 12.135 4.120 1.00 0.00 C ATOM 823 O SER A 143 8.409 11.637 4.508 1.00 0.00 O ATOM 824 CB SER A 143 8.319 14.379 4.039 1.00 0.00 C ATOM 825 OG SER A 143 8.406 15.299 2.960 1.00 0.00 O ATOM 0 H SER A 143 10.481 13.638 2.213 1.00 0.00 H new ATOM 0 HA SER A 143 10.108 13.880 5.162 1.00 0.00 H new ATOM 0 HB2 SER A 143 7.521 13.659 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 143 8.068 14.904 4.961 1.00 0.00 H new ATOM 0 HG SER A 143 7.810 16.059 3.129 1.00 0.00 H new ATOM 831 N ALA A 144 10.397 11.394 3.634 1.00 0.00 N ATOM 832 CA ALA A 144 10.210 9.914 3.537 1.00 0.00 C ATOM 833 C ALA A 144 9.703 9.344 4.867 1.00 0.00 C ATOM 834 O ALA A 144 9.362 8.182 4.955 1.00 0.00 O ATOM 835 CB ALA A 144 11.540 9.254 3.187 1.00 0.00 C ATOM 0 H ALA A 144 11.295 11.743 3.300 1.00 0.00 H new ATOM 0 HA ALA A 144 9.474 9.709 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 144 11.403 8.175 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 144 11.896 9.638 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 144 12.272 9.477 3.963 1.00 0.00 H new ATOM 841 N GLY A 145 9.640 10.138 5.900 1.00 0.00 N ATOM 842 CA GLY A 145 9.143 9.612 7.206 1.00 0.00 C ATOM 843 C GLY A 145 7.883 8.769 6.972 1.00 0.00 C ATOM 844 O GLY A 145 7.762 7.666 7.468 1.00 0.00 O ATOM 0 H GLY A 145 9.909 11.122 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 145 9.914 9.008 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 145 8.921 10.438 7.882 1.00 0.00 H new ATOM 848 N TRP A 146 6.944 9.283 6.220 1.00 0.00 N ATOM 849 CA TRP A 146 5.687 8.519 5.955 1.00 0.00 C ATOM 850 C TRP A 146 6.016 7.110 5.452 1.00 0.00 C ATOM 851 O TRP A 146 5.287 6.170 5.702 1.00 0.00 O ATOM 852 CB TRP A 146 4.849 9.251 4.897 1.00 0.00 C ATOM 853 CG TRP A 146 5.665 9.457 3.659 1.00 0.00 C ATOM 854 CD1 TRP A 146 6.356 10.582 3.368 1.00 0.00 C ATOM 855 CD2 TRP A 146 5.879 8.545 2.546 1.00 0.00 C ATOM 856 NE1 TRP A 146 6.996 10.414 2.153 1.00 0.00 N ATOM 857 CE2 TRP A 146 6.729 9.174 1.604 1.00 0.00 C ATOM 858 CE3 TRP A 146 5.428 7.244 2.266 1.00 0.00 C ATOM 859 CZ2 TRP A 146 7.116 8.532 0.425 1.00 0.00 C ATOM 860 CZ3 TRP A 146 5.813 6.597 1.081 1.00 0.00 C ATOM 861 CH2 TRP A 146 6.655 7.238 0.162 1.00 0.00 C ATOM 0 H TRP A 146 6.993 10.200 5.777 1.00 0.00 H new ATOM 0 HA TRP A 146 5.123 8.444 6.885 1.00 0.00 H new ATOM 0 HB2 TRP A 146 3.956 8.672 4.663 1.00 0.00 H new ATOM 0 HB3 TRP A 146 4.513 10.212 5.287 1.00 0.00 H new ATOM 0 HD1 TRP A 146 6.401 11.468 3.984 1.00 0.00 H new ATOM 0 HE1 TRP A 146 7.591 11.118 1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 146 4.781 6.738 2.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 7.766 9.031 -0.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 5.458 5.598 0.876 1.00 0.00 H new ATOM 0 HH2 TRP A 146 6.947 6.734 -0.747 1.00 0.00 H new ATOM 872 N LYS A 147 7.101 6.951 4.746 1.00 0.00 N ATOM 873 CA LYS A 147 7.464 5.600 4.231 1.00 0.00 C ATOM 874 C LYS A 147 7.527 4.606 5.396 1.00 0.00 C ATOM 875 O LYS A 147 6.954 3.536 5.350 1.00 0.00 O ATOM 876 CB LYS A 147 8.833 5.685 3.554 1.00 0.00 C ATOM 877 CG LYS A 147 9.183 4.349 2.897 1.00 0.00 C ATOM 878 CD LYS A 147 10.616 4.417 2.363 1.00 0.00 C ATOM 879 CE LYS A 147 11.016 3.061 1.775 1.00 0.00 C ATOM 880 NZ LYS A 147 12.504 2.946 1.767 1.00 0.00 N ATOM 0 H LYS A 147 7.752 7.698 4.503 1.00 0.00 H new ATOM 0 HA LYS A 147 6.716 5.261 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.827 6.476 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.594 5.947 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 147 9.088 3.538 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 147 8.488 4.135 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 147 10.693 5.191 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 147 11.300 4.692 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 147 10.581 2.254 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.627 2.962 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 12.779 2.026 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 12.908 3.709 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 12.863 3.023 2.740 1.00 0.00 H new ATOM 894 N ASN A 148 8.220 4.960 6.441 1.00 0.00 N ATOM 895 CA ASN A 148 8.336 4.051 7.618 1.00 0.00 C ATOM 896 C ASN A 148 6.949 3.753 8.200 1.00 0.00 C ATOM 897 O ASN A 148 6.682 2.657 8.650 1.00 0.00 O ATOM 898 CB ASN A 148 9.203 4.728 8.680 1.00 0.00 C ATOM 899 CG ASN A 148 9.537 3.728 9.784 1.00 0.00 C ATOM 900 OD1 ASN A 148 9.440 2.534 9.587 1.00 0.00 O ATOM 901 ND2 ASN A 148 9.931 4.169 10.947 1.00 0.00 N ATOM 0 H ASN A 148 8.716 5.847 6.532 1.00 0.00 H new ATOM 0 HA ASN A 148 8.791 3.111 7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 148 10.120 5.106 8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 148 8.678 5.586 9.100 1.00 0.00 H new ATOM 0 HD21 ASN A 148 10.158 3.510 11.692 1.00 0.00 H new ATOM 0 HD22 ASN A 148 10.012 5.172 11.111 1.00 0.00 H new ATOM 908 N SER A 149 6.071 4.718 8.214 1.00 0.00 N ATOM 909 CA SER A 149 4.710 4.483 8.786 1.00 0.00 C ATOM 910 C SER A 149 4.048 3.288 8.094 1.00 0.00 C ATOM 911 O SER A 149 3.498 2.413 8.731 1.00 0.00 O ATOM 912 CB SER A 149 3.855 5.729 8.570 1.00 0.00 C ATOM 913 OG SER A 149 3.487 5.821 7.200 1.00 0.00 O ATOM 0 H SER A 149 6.234 5.659 7.855 1.00 0.00 H new ATOM 0 HA SER A 149 4.799 4.272 9.852 1.00 0.00 H new ATOM 0 HB2 SER A 149 2.963 5.683 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 149 4.409 6.619 8.869 1.00 0.00 H new ATOM 0 HG SER A 149 4.231 6.198 6.686 1.00 0.00 H new ATOM 919 N ILE A 150 4.095 3.251 6.796 1.00 0.00 N ATOM 920 CA ILE A 150 3.465 2.122 6.047 1.00 0.00 C ATOM 921 C ILE A 150 4.076 0.794 6.501 1.00 0.00 C ATOM 922 O ILE A 150 3.380 -0.161 6.785 1.00 0.00 O ATOM 923 CB ILE A 150 3.736 2.324 4.552 1.00 0.00 C ATOM 924 CG1 ILE A 150 2.995 3.574 4.064 1.00 0.00 C ATOM 925 CG2 ILE A 150 3.267 1.102 3.756 1.00 0.00 C ATOM 926 CD1 ILE A 150 3.495 3.958 2.669 1.00 0.00 C ATOM 0 H ILE A 150 4.545 3.957 6.213 1.00 0.00 H new ATOM 0 HA ILE A 150 2.392 2.101 6.238 1.00 0.00 H new ATOM 0 HB ILE A 150 4.808 2.450 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 150 1.922 3.385 4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.156 4.399 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 150 3.466 1.260 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 150 3.804 0.217 4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 150 2.197 0.958 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.966 4.847 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 150 4.564 4.165 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 150 3.311 3.136 1.977 1.00 0.00 H new ATOM 938 N ARG A 151 5.373 0.732 6.560 1.00 0.00 N ATOM 939 CA ARG A 151 6.062 -0.520 6.984 1.00 0.00 C ATOM 940 C ARG A 151 5.551 -0.971 8.360 1.00 0.00 C ATOM 941 O ARG A 151 5.226 -2.122 8.569 1.00 0.00 O ATOM 942 CB ARG A 151 7.562 -0.226 7.058 1.00 0.00 C ATOM 943 CG ARG A 151 8.353 -1.520 7.237 1.00 0.00 C ATOM 944 CD ARG A 151 9.838 -1.174 7.346 1.00 0.00 C ATOM 945 NE ARG A 151 10.267 -0.444 6.121 1.00 0.00 N ATOM 946 CZ ARG A 151 11.383 0.232 6.123 1.00 0.00 C ATOM 947 NH1 ARG A 151 12.134 0.251 7.189 1.00 0.00 N ATOM 948 NH2 ARG A 151 11.747 0.890 5.058 1.00 0.00 N ATOM 0 H ARG A 151 5.997 1.506 6.330 1.00 0.00 H new ATOM 0 HA ARG A 151 5.862 -1.319 6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.884 0.281 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 151 7.766 0.449 7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 151 8.021 -2.046 8.132 1.00 0.00 H new ATOM 0 HG3 ARG A 151 8.181 -2.188 6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 151 10.016 -0.561 8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 151 10.427 -2.083 7.466 1.00 0.00 H new ATOM 0 HE ARG A 151 9.689 -0.472 5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 151 11.849 -0.263 8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 151 13.006 0.780 7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 151 11.160 0.876 4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 151 12.619 1.419 5.059 1.00 0.00 H new ATOM 962 N HIS A 152 5.499 -0.069 9.299 1.00 0.00 N ATOM 963 CA HIS A 152 5.037 -0.423 10.674 1.00 0.00 C ATOM 964 C HIS A 152 3.546 -0.794 10.678 1.00 0.00 C ATOM 965 O HIS A 152 3.115 -1.646 11.433 1.00 0.00 O ATOM 966 CB HIS A 152 5.262 0.782 11.587 1.00 0.00 C ATOM 967 CG HIS A 152 5.108 0.373 13.023 1.00 0.00 C ATOM 968 ND1 HIS A 152 6.003 -0.480 13.652 1.00 0.00 N ATOM 969 CD2 HIS A 152 4.177 0.707 13.974 1.00 0.00 C ATOM 970 CE1 HIS A 152 5.597 -0.627 14.927 1.00 0.00 C ATOM 971 NE2 HIS A 152 4.491 0.077 15.173 1.00 0.00 N ATOM 0 H HIS A 152 5.759 0.909 9.173 1.00 0.00 H new ATOM 0 HA HIS A 152 5.602 -1.286 11.027 1.00 0.00 H new ATOM 0 HB2 HIS A 152 6.258 1.193 11.422 1.00 0.00 H new ATOM 0 HB3 HIS A 152 4.548 1.570 11.346 1.00 0.00 H new ATOM 0 HD1 HIS A 152 6.820 -0.917 13.226 1.00 0.00 H new ATOM 0 HD2 HIS A 152 3.331 1.359 13.816 1.00 0.00 H new ATOM 0 HE1 HIS A 152 6.103 -1.238 15.659 1.00 0.00 H new ATOM 980 N ASN A 153 2.750 -0.147 9.868 1.00 0.00 N ATOM 981 CA ASN A 153 1.283 -0.443 9.861 1.00 0.00 C ATOM 982 C ASN A 153 1.012 -1.878 9.399 1.00 0.00 C ATOM 983 O ASN A 153 0.150 -2.550 9.928 1.00 0.00 O ATOM 984 CB ASN A 153 0.576 0.533 8.916 1.00 0.00 C ATOM 985 CG ASN A 153 0.415 1.892 9.604 1.00 0.00 C ATOM 986 OD1 ASN A 153 -0.614 2.176 10.183 1.00 0.00 O ATOM 987 ND2 ASN A 153 1.397 2.748 9.566 1.00 0.00 N ATOM 0 H ASN A 153 3.050 0.573 9.211 1.00 0.00 H new ATOM 0 HA ASN A 153 0.903 -0.330 10.876 1.00 0.00 H new ATOM 0 HB2 ASN A 153 1.151 0.646 7.997 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -0.401 0.139 8.635 1.00 0.00 H new ATOM 0 HD21 ASN A 153 1.301 3.655 10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 153 2.262 2.511 9.080 1.00 0.00 H new ATOM 994 N LEU A 154 1.721 -2.355 8.423 1.00 0.00 N ATOM 995 CA LEU A 154 1.473 -3.745 7.943 1.00 0.00 C ATOM 996 C LEU A 154 1.646 -4.746 9.094 1.00 0.00 C ATOM 997 O LEU A 154 1.019 -5.785 9.114 1.00 0.00 O ATOM 998 CB LEU A 154 2.446 -4.072 6.809 1.00 0.00 C ATOM 999 CG LEU A 154 2.124 -3.197 5.589 1.00 0.00 C ATOM 1000 CD1 LEU A 154 3.217 -3.374 4.527 1.00 0.00 C ATOM 1001 CD2 LEU A 154 0.763 -3.603 5.001 1.00 0.00 C ATOM 0 H LEU A 154 2.460 -1.849 7.935 1.00 0.00 H new ATOM 0 HA LEU A 154 0.450 -3.819 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.472 -3.898 7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.370 -5.126 6.544 1.00 0.00 H new ATOM 0 HG LEU A 154 2.084 -2.152 5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 154 2.987 -2.752 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 154 4.180 -3.076 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 154 3.262 -4.419 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.540 -2.979 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 154 0.796 -4.649 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -0.013 -3.470 5.754 1.00 0.00 H new ATOM 1013 N SER A 155 2.490 -4.452 10.048 1.00 0.00 N ATOM 1014 CA SER A 155 2.692 -5.402 11.185 1.00 0.00 C ATOM 1015 C SER A 155 1.516 -5.311 12.160 1.00 0.00 C ATOM 1016 O SER A 155 1.081 -6.298 12.721 1.00 0.00 O ATOM 1017 CB SER A 155 3.980 -5.043 11.930 1.00 0.00 C ATOM 1018 OG SER A 155 3.719 -3.974 12.832 1.00 0.00 O ATOM 0 H SER A 155 3.047 -3.599 10.090 1.00 0.00 H new ATOM 0 HA SER A 155 2.760 -6.415 10.789 1.00 0.00 H new ATOM 0 HB2 SER A 155 4.353 -5.911 12.474 1.00 0.00 H new ATOM 0 HB3 SER A 155 4.756 -4.754 11.221 1.00 0.00 H new ATOM 0 HG SER A 155 3.510 -3.162 12.325 1.00 0.00 H new ATOM 1024 N LEU A 156 1.014 -4.129 12.382 1.00 0.00 N ATOM 1025 CA LEU A 156 -0.114 -3.961 13.342 1.00 0.00 C ATOM 1026 C LEU A 156 -1.443 -4.380 12.704 1.00 0.00 C ATOM 1027 O LEU A 156 -1.572 -4.479 11.497 1.00 0.00 O ATOM 1028 CB LEU A 156 -0.180 -2.493 13.776 1.00 0.00 C ATOM 1029 CG LEU A 156 1.161 -2.085 14.397 1.00 0.00 C ATOM 1030 CD1 LEU A 156 1.115 -0.613 14.806 1.00 0.00 C ATOM 1031 CD2 LEU A 156 1.441 -2.942 15.635 1.00 0.00 C ATOM 0 H LEU A 156 1.337 -3.269 11.939 1.00 0.00 H new ATOM 0 HA LEU A 156 0.057 -4.599 14.209 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -0.404 -1.859 12.919 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -0.985 -2.351 14.497 1.00 0.00 H new ATOM 0 HG LEU A 156 1.952 -2.235 13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 156 2.070 -0.328 15.247 1.00 0.00 H new ATOM 0 HD12 LEU A 156 0.922 0.003 13.928 1.00 0.00 H new ATOM 0 HD13 LEU A 156 0.319 -0.463 15.536 1.00 0.00 H new ATOM 0 HD21 LEU A 156 2.395 -2.648 16.073 1.00 0.00 H new ATOM 0 HD22 LEU A 156 0.646 -2.796 16.366 1.00 0.00 H new ATOM 0 HD23 LEU A 156 1.482 -3.993 15.348 1.00 0.00 H new ATOM 1043 N HIS A 157 -2.429 -4.634 13.527 1.00 0.00 N ATOM 1044 CA HIS A 157 -3.770 -5.059 13.024 1.00 0.00 C ATOM 1045 C HIS A 157 -3.642 -6.359 12.229 1.00 0.00 C ATOM 1046 O HIS A 157 -2.861 -6.465 11.306 1.00 0.00 O ATOM 1047 CB HIS A 157 -4.379 -3.959 12.145 1.00 0.00 C ATOM 1048 CG HIS A 157 -5.184 -3.025 13.008 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -4.632 -1.896 13.602 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -6.498 -3.053 13.407 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -5.603 -1.300 14.322 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -6.757 -1.966 14.234 1.00 0.00 N ATOM 0 H HIS A 157 -2.360 -4.563 14.542 1.00 0.00 H new ATOM 0 HA HIS A 157 -4.428 -5.230 13.876 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -3.590 -3.410 11.631 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -5.013 -4.401 11.376 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -7.219 -3.804 13.122 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -5.465 -0.397 14.898 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -7.643 -1.727 14.680 1.00 0.00 H new ATOM 1061 N SER A 158 -4.413 -7.349 12.591 1.00 0.00 N ATOM 1062 CA SER A 158 -4.352 -8.652 11.869 1.00 0.00 C ATOM 1063 C SER A 158 -4.896 -8.466 10.452 1.00 0.00 C ATOM 1064 O SER A 158 -4.745 -9.317 9.599 1.00 0.00 O ATOM 1065 CB SER A 158 -5.199 -9.684 12.615 1.00 0.00 C ATOM 1066 OG SER A 158 -4.808 -9.712 13.981 1.00 0.00 O ATOM 0 H SER A 158 -5.084 -7.311 13.358 1.00 0.00 H new ATOM 0 HA SER A 158 -3.320 -9.000 11.820 1.00 0.00 H new ATOM 0 HB2 SER A 158 -6.256 -9.432 12.532 1.00 0.00 H new ATOM 0 HB3 SER A 158 -5.070 -10.669 12.167 1.00 0.00 H new ATOM 0 HG SER A 158 -5.350 -10.371 14.463 1.00 0.00 H new ATOM 1072 N LYS A 159 -5.527 -7.352 10.197 1.00 0.00 N ATOM 1073 CA LYS A 159 -6.080 -7.100 8.841 1.00 0.00 C ATOM 1074 C LYS A 159 -5.012 -7.436 7.795 1.00 0.00 C ATOM 1075 O LYS A 159 -5.317 -7.808 6.678 1.00 0.00 O ATOM 1076 CB LYS A 159 -6.484 -5.630 8.733 1.00 0.00 C ATOM 1077 CG LYS A 159 -7.133 -5.375 7.367 1.00 0.00 C ATOM 1078 CD LYS A 159 -7.931 -4.059 7.394 1.00 0.00 C ATOM 1079 CE LYS A 159 -7.187 -2.976 6.609 1.00 0.00 C ATOM 1080 NZ LYS A 159 -8.021 -1.742 6.565 1.00 0.00 N ATOM 0 H LYS A 159 -5.682 -6.605 10.874 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.957 -7.724 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -7.180 -5.374 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -5.609 -4.992 8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -6.365 -5.327 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -7.793 -6.204 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -8.920 -4.216 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -8.079 -3.735 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -6.227 -2.764 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -6.976 -3.323 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -7.519 -1.003 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -8.926 -1.951 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -8.200 -1.409 7.534 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.759 -7.316 8.156 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.661 -7.640 7.196 1.00 0.00 C ATOM 1096 C PHE A 160 -2.038 -8.982 7.573 1.00 0.00 C ATOM 1097 O PHE A 160 -1.713 -9.226 8.717 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.587 -6.554 7.260 1.00 0.00 C ATOM 1099 CG PHE A 160 -2.146 -5.265 6.713 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -2.581 -5.196 5.381 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -2.234 -4.137 7.538 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -3.103 -4.000 4.877 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -2.757 -2.943 7.032 1.00 0.00 C ATOM 1104 CZ PHE A 160 -3.192 -2.874 5.703 1.00 0.00 C ATOM 0 H PHE A 160 -3.449 -7.007 9.077 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.068 -7.692 6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -1.258 -6.413 8.289 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -0.712 -6.857 6.684 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -2.513 -6.066 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -1.899 -4.189 8.563 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -3.437 -3.946 3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.826 -2.072 7.667 1.00 0.00 H new ATOM 0 HZ PHE A 160 -3.597 -1.951 5.315 1.00 0.00 H new ATOM 1114 N ILE A 161 -1.868 -9.853 6.616 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.267 -11.184 6.909 1.00 0.00 C ATOM 1116 C ILE A 161 0.091 -11.285 6.217 1.00 0.00 C ATOM 1117 O ILE A 161 0.249 -10.902 5.072 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.210 -12.273 6.394 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.222 -12.252 4.864 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -3.618 -11.989 6.916 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -3.458 -12.985 4.336 1.00 0.00 C ATOM 0 H ILE A 161 -2.121 -9.699 5.640 1.00 0.00 H new ATOM 0 HA ILE A 161 -1.125 -11.310 7.982 1.00 0.00 H new ATOM 0 HB ILE A 161 -1.874 -13.251 6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -2.221 -11.222 4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.318 -12.724 4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.301 -12.758 6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.609 -11.992 8.006 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -3.949 -11.014 6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -3.456 -12.964 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -3.441 -14.020 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.358 -12.494 4.707 1.00 0.00 H new ATOM 1133 N LYS A 162 1.072 -11.790 6.908 1.00 0.00 N ATOM 1134 CA LYS A 162 2.428 -11.911 6.306 1.00 0.00 C ATOM 1135 C LYS A 162 2.496 -13.182 5.458 1.00 0.00 C ATOM 1136 O LYS A 162 2.087 -14.245 5.881 1.00 0.00 O ATOM 1137 CB LYS A 162 3.467 -11.990 7.430 1.00 0.00 C ATOM 1138 CG LYS A 162 4.881 -11.856 6.850 1.00 0.00 C ATOM 1139 CD LYS A 162 5.217 -10.377 6.632 1.00 0.00 C ATOM 1140 CE LYS A 162 6.679 -10.243 6.205 1.00 0.00 C ATOM 1141 NZ LYS A 162 7.560 -10.380 7.400 1.00 0.00 N ATOM 0 H LYS A 162 0.993 -12.126 7.868 1.00 0.00 H new ATOM 0 HA LYS A 162 2.632 -11.045 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 162 3.288 -11.199 8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 162 3.371 -12.938 7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 162 5.606 -12.307 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.949 -12.396 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.564 -9.954 5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 162 5.042 -9.814 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 162 6.926 -11.008 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.843 -9.277 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 8.535 -10.123 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 7.222 -9.749 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 7.539 -11.364 7.736 1.00 0.00 H new ATOM 1155 N VAL A 163 3.013 -13.075 4.263 1.00 0.00 N ATOM 1156 CA VAL A 163 3.122 -14.264 3.368 1.00 0.00 C ATOM 1157 C VAL A 163 4.591 -14.697 3.299 1.00 0.00 C ATOM 1158 O VAL A 163 5.458 -13.915 2.963 1.00 0.00 O ATOM 1159 CB VAL A 163 2.643 -13.870 1.969 1.00 0.00 C ATOM 1160 CG1 VAL A 163 2.717 -15.069 1.023 1.00 0.00 C ATOM 1161 CG2 VAL A 163 1.199 -13.371 2.035 1.00 0.00 C ATOM 0 H VAL A 163 3.368 -12.206 3.865 1.00 0.00 H new ATOM 0 HA VAL A 163 2.514 -15.084 3.750 1.00 0.00 H new ATOM 0 HB VAL A 163 3.289 -13.077 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 163 2.373 -14.772 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.747 -15.419 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 163 2.084 -15.871 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.864 -13.092 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.558 -14.162 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.144 -12.503 2.692 1.00 0.00 H new ATOM 1171 N HIS A 164 4.881 -15.927 3.624 1.00 0.00 N ATOM 1172 CA HIS A 164 6.299 -16.388 3.586 1.00 0.00 C ATOM 1173 C HIS A 164 6.732 -16.701 2.149 1.00 0.00 C ATOM 1174 O HIS A 164 6.607 -17.816 1.684 1.00 0.00 O ATOM 1175 CB HIS A 164 6.451 -17.643 4.450 1.00 0.00 C ATOM 1176 CG HIS A 164 7.734 -18.345 4.095 1.00 0.00 C ATOM 1177 ND1 HIS A 164 7.756 -19.642 3.600 1.00 0.00 N ATOM 1178 CD2 HIS A 164 9.044 -17.935 4.136 1.00 0.00 C ATOM 1179 CE1 HIS A 164 9.043 -19.962 3.363 1.00 0.00 C ATOM 1180 NE2 HIS A 164 9.863 -18.957 3.674 1.00 0.00 N ATOM 0 H HIS A 164 4.201 -16.630 3.913 1.00 0.00 H new ATOM 0 HA HIS A 164 6.934 -15.591 3.974 1.00 0.00 H new ATOM 0 HB2 HIS A 164 6.452 -17.372 5.506 1.00 0.00 H new ATOM 0 HB3 HIS A 164 5.604 -18.310 4.293 1.00 0.00 H new ATOM 0 HD2 HIS A 164 9.385 -16.968 4.475 1.00 0.00 H new ATOM 0 HE1 HIS A 164 9.370 -20.913 2.970 1.00 0.00 H new ATOM 0 HE2 HIS A 164 10.879 -18.942 3.590 1.00 0.00 H new ATOM 1189 N ASN A 165 7.258 -15.734 1.449 1.00 0.00 N ATOM 1190 CA ASN A 165 7.717 -15.998 0.054 1.00 0.00 C ATOM 1191 C ASN A 165 9.011 -16.815 0.069 1.00 0.00 C ATOM 1192 O ASN A 165 9.948 -16.498 0.774 1.00 0.00 O ATOM 1193 CB ASN A 165 7.973 -14.681 -0.677 1.00 0.00 C ATOM 1194 CG ASN A 165 8.137 -14.963 -2.174 1.00 0.00 C ATOM 1195 OD1 ASN A 165 8.376 -16.088 -2.567 1.00 0.00 O ATOM 1196 ND2 ASN A 165 8.014 -13.989 -3.032 1.00 0.00 N ATOM 0 H ASN A 165 7.390 -14.778 1.779 1.00 0.00 H new ATOM 0 HA ASN A 165 6.936 -16.557 -0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 165 7.144 -13.992 -0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 165 8.869 -14.201 -0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 165 8.118 -14.172 -4.030 1.00 0.00 H new ATOM 0 HD22 ASN A 165 7.813 -13.044 -2.705 1.00 0.00 H new ATOM 1203 N GLU A 166 9.080 -17.851 -0.719 1.00 0.00 N ATOM 1204 CA GLU A 166 10.325 -18.668 -0.765 1.00 0.00 C ATOM 1205 C GLU A 166 11.434 -17.849 -1.444 1.00 0.00 C ATOM 1206 O GLU A 166 12.589 -17.920 -1.074 1.00 0.00 O ATOM 1207 CB GLU A 166 10.050 -19.946 -1.566 1.00 0.00 C ATOM 1208 CG GLU A 166 9.081 -20.841 -0.789 1.00 0.00 C ATOM 1209 CD GLU A 166 8.797 -22.110 -1.593 1.00 0.00 C ATOM 1210 OE1 GLU A 166 9.429 -22.293 -2.618 1.00 0.00 O ATOM 1211 OE2 GLU A 166 7.948 -22.878 -1.172 1.00 0.00 O ATOM 0 H GLU A 166 8.329 -18.167 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 166 10.642 -18.936 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 166 9.627 -19.694 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 166 10.983 -20.478 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 166 9.507 -21.100 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 166 8.152 -20.306 -0.595 1.00 0.00 H new ATOM 1218 N ALA A 167 11.079 -17.070 -2.432 1.00 0.00 N ATOM 1219 CA ALA A 167 12.079 -16.231 -3.151 1.00 0.00 C ATOM 1220 C ALA A 167 12.588 -15.127 -2.225 1.00 0.00 C ATOM 1221 O ALA A 167 12.243 -13.972 -2.370 1.00 0.00 O ATOM 1222 CB ALA A 167 11.421 -15.599 -4.383 1.00 0.00 C ATOM 0 H ALA A 167 10.123 -16.979 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 167 12.917 -16.855 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 167 12.151 -14.985 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 167 11.061 -16.385 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.583 -14.977 -4.069 1.00 0.00 H new ATOM 1271 N SER A 171 10.967 -9.258 -2.085 1.00 0.00 N ATOM 1272 CA SER A 171 10.373 -9.040 -0.734 1.00 0.00 C ATOM 1273 C SER A 171 9.162 -9.958 -0.543 1.00 0.00 C ATOM 1274 O SER A 171 8.587 -10.449 -1.495 1.00 0.00 O ATOM 1275 CB SER A 171 9.941 -7.583 -0.586 1.00 0.00 C ATOM 1276 OG SER A 171 11.038 -6.735 -0.898 1.00 0.00 O ATOM 0 HA SER A 171 11.121 -9.271 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 171 9.102 -7.371 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 171 9.598 -7.395 0.431 1.00 0.00 H new ATOM 0 HG SER A 171 11.615 -7.176 -1.556 1.00 0.00 H new ATOM 1282 N SER A 172 8.784 -10.201 0.684 1.00 0.00 N ATOM 1283 CA SER A 172 7.620 -11.095 0.950 1.00 0.00 C ATOM 1284 C SER A 172 6.335 -10.481 0.386 1.00 0.00 C ATOM 1285 O SER A 172 6.264 -9.302 0.103 1.00 0.00 O ATOM 1286 CB SER A 172 7.459 -11.296 2.456 1.00 0.00 C ATOM 1287 OG SER A 172 8.598 -11.975 2.969 1.00 0.00 O ATOM 0 H SER A 172 9.233 -9.817 1.516 1.00 0.00 H new ATOM 0 HA SER A 172 7.801 -12.054 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 172 7.343 -10.332 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.556 -11.871 2.662 1.00 0.00 H new ATOM 0 HG SER A 172 8.495 -12.102 3.935 1.00 0.00 H new ATOM 1293 N TRP A 173 5.319 -11.285 0.223 1.00 0.00 N ATOM 1294 CA TRP A 173 4.027 -10.772 -0.323 1.00 0.00 C ATOM 1295 C TRP A 173 3.124 -10.280 0.814 1.00 0.00 C ATOM 1296 O TRP A 173 2.961 -10.941 1.820 1.00 0.00 O ATOM 1297 CB TRP A 173 3.291 -11.901 -1.052 1.00 0.00 C ATOM 1298 CG TRP A 173 4.166 -12.510 -2.096 1.00 0.00 C ATOM 1299 CD1 TRP A 173 4.930 -13.612 -1.935 1.00 0.00 C ATOM 1300 CD2 TRP A 173 4.357 -12.075 -3.461 1.00 0.00 C ATOM 1301 NE1 TRP A 173 5.588 -13.876 -3.126 1.00 0.00 N ATOM 1302 CE2 TRP A 173 5.264 -12.948 -4.099 1.00 0.00 C ATOM 1303 CE3 TRP A 173 3.830 -11.010 -4.188 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 5.638 -12.765 -5.431 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 4.198 -10.814 -5.530 1.00 0.00 C ATOM 1306 CH2 TRP A 173 5.103 -11.692 -6.150 1.00 0.00 C ATOM 0 H TRP A 173 5.327 -12.280 0.445 1.00 0.00 H new ATOM 0 HA TRP A 173 4.248 -9.951 -1.005 1.00 0.00 H new ATOM 0 HB2 TRP A 173 2.984 -12.664 -0.336 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.383 -11.512 -1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 173 5.014 -14.192 -1.028 1.00 0.00 H new ATOM 0 HE1 TRP A 173 6.230 -14.656 -3.267 1.00 0.00 H new ATOM 0 HE3 TRP A 173 3.134 -10.331 -3.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 6.333 -13.445 -5.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 3.784 -9.986 -6.086 1.00 0.00 H new ATOM 0 HH2 TRP A 173 5.385 -11.538 -7.181 1.00 0.00 H new ATOM 1317 N TRP A 174 2.501 -9.144 0.646 1.00 0.00 N ATOM 1318 CA TRP A 174 1.565 -8.634 1.696 1.00 0.00 C ATOM 1319 C TRP A 174 0.131 -8.936 1.243 1.00 0.00 C ATOM 1320 O TRP A 174 -0.196 -8.786 0.081 1.00 0.00 O ATOM 1321 CB TRP A 174 1.739 -7.121 1.861 1.00 0.00 C ATOM 1322 CG TRP A 174 2.911 -6.841 2.748 1.00 0.00 C ATOM 1323 CD1 TRP A 174 4.058 -6.244 2.353 1.00 0.00 C ATOM 1324 CD2 TRP A 174 3.071 -7.132 4.171 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.912 -6.152 3.437 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.351 -6.685 4.581 1.00 0.00 C ATOM 1327 CE3 TRP A 174 2.241 -7.734 5.138 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.790 -6.827 5.897 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.684 -7.878 6.465 1.00 0.00 C ATOM 1330 CH2 TRP A 174 3.955 -7.426 6.841 1.00 0.00 C ATOM 0 H TRP A 174 2.599 -8.545 -0.174 1.00 0.00 H new ATOM 0 HA TRP A 174 1.775 -9.117 2.650 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.888 -6.654 0.887 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.835 -6.686 2.288 1.00 0.00 H new ATOM 0 HD1 TRP A 174 4.272 -5.896 1.353 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.844 -5.740 3.396 1.00 0.00 H new ATOM 0 HE3 TRP A 174 1.259 -8.087 4.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.770 -6.476 6.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 2.040 -8.340 7.199 1.00 0.00 H new ATOM 0 HH2 TRP A 174 4.289 -7.541 7.862 1.00 0.00 H new ATOM 1341 N MET A 175 -0.726 -9.370 2.132 1.00 0.00 N ATOM 1342 CA MET A 175 -2.130 -9.688 1.719 1.00 0.00 C ATOM 1343 C MET A 175 -3.127 -9.204 2.779 1.00 0.00 C ATOM 1344 O MET A 175 -2.806 -9.091 3.946 1.00 0.00 O ATOM 1345 CB MET A 175 -2.268 -11.204 1.558 1.00 0.00 C ATOM 1346 CG MET A 175 -1.475 -11.676 0.342 1.00 0.00 C ATOM 1347 SD MET A 175 -1.693 -13.464 0.148 1.00 0.00 S ATOM 1348 CE MET A 175 -3.410 -13.446 -0.432 1.00 0.00 C ATOM 0 H MET A 175 -0.518 -9.518 3.120 1.00 0.00 H new ATOM 0 HA MET A 175 -2.345 -9.183 0.777 1.00 0.00 H new ATOM 0 HB2 MET A 175 -1.907 -11.707 2.455 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.318 -11.471 1.443 1.00 0.00 H new ATOM 0 HG2 MET A 175 -1.816 -11.157 -0.554 1.00 0.00 H new ATOM 0 HG3 MET A 175 -0.419 -11.437 0.466 1.00 0.00 H new ATOM 0 HE1 MET A 175 -4.060 -13.854 0.342 1.00 0.00 H new ATOM 0 HE2 MET A 175 -3.709 -12.421 -0.653 1.00 0.00 H new ATOM 0 HE3 MET A 175 -3.496 -14.052 -1.334 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.345 -8.937 2.375 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.382 -8.485 3.346 1.00 0.00 C ATOM 1360 C LEU A 176 -5.896 -9.701 4.115 1.00 0.00 C ATOM 1361 O LEU A 176 -5.830 -10.814 3.633 1.00 0.00 O ATOM 1362 CB LEU A 176 -6.566 -7.851 2.593 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.097 -6.651 1.759 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.308 -5.962 1.100 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.365 -5.651 2.664 1.00 0.00 C ATOM 0 H LEU A 176 -4.664 -9.014 1.409 1.00 0.00 H new ATOM 0 HA LEU A 176 -4.945 -7.753 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.030 -8.593 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.327 -7.531 3.305 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.419 -7.001 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -6.966 -5.112 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -7.821 -6.671 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -7.994 -5.615 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -5.032 -4.799 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -6.041 -5.306 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.501 -6.136 3.118 1.00 0.00 H new ATOM 1377 N ASN A 177 -6.431 -9.508 5.286 1.00 0.00 N ATOM 1378 CA ASN A 177 -6.966 -10.672 6.036 1.00 0.00 C ATOM 1379 C ASN A 177 -8.127 -11.251 5.221 1.00 0.00 C ATOM 1380 O ASN A 177 -8.984 -10.518 4.766 1.00 0.00 O ATOM 1381 CB ASN A 177 -7.464 -10.215 7.406 1.00 0.00 C ATOM 1382 CG ASN A 177 -7.908 -11.427 8.227 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -7.116 -12.017 8.936 1.00 0.00 O ATOM 1384 ND2 ASN A 177 -9.148 -11.826 8.165 1.00 0.00 N ATOM 0 H ASN A 177 -6.520 -8.605 5.751 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.193 -11.426 6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -6.673 -9.679 7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -8.295 -9.520 7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -9.452 -12.632 8.711 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -9.814 -11.332 7.571 1.00 0.00 H new