USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=23 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 162 LYS NZ :NH3+ 145:sc= -2.2 (180deg=-5.04!) USER MOD Set 1.2: A 172 SER OG : rot -130:sc= -0.0206 USER MOD Set 2.1: A 140 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 142 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 133 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 137 LYS NZ :NH3+ 154:sc= -0.412 (180deg=-1.55!) USER MOD Single : A 100 GLN : amide:sc=-0.00479 X(o=-0.0048,f=0) USER MOD Single : A 101 SER OG : rot -87:sc= 0.73 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 76:sc= 0.82 USER MOD Single : A 108 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 112 SER OG : rot 100:sc= 1.16 USER MOD Single : A 116 LYS NZ :NH3+ 155:sc= -0.0949 (180deg=-0.804) USER MOD Single : A 119 THR OG1 : rot -122:sc= -0.723 USER MOD Single : A 122 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.13) USER MOD Single : A 124 TYR OH : rot -130:sc= -0.643 USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.7!) USER MOD Single : A 143 SER OG : rot 180:sc=-0.00511 USER MOD Single : A 147 LYS NZ :NH3+ -160:sc= -0.0303 (180deg=-0.589) USER MOD Single : A 148 ASN : amide:sc= -0.0121 K(o=-0.012,f=-0.76) USER MOD Single : A 149 SER OG : rot -89:sc= 0.635 USER MOD Single : A 152 HIS : no HD1:sc= -0.115 K(o=-0.11,f=-0.68) USER MOD Single : A 153 ASN : amide:sc= 0.97 K(o=0.97,f=-0.41) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-6.4!) USER MOD Single : A 158 SER OG : rot 91:sc= 0.0849 USER MOD Single : A 159 LYS NZ :NH3+ 167:sc=-0.00483 (180deg=-0.171) USER MOD Single : A 164 HIS : no HD1:sc= -0.535 K(o=-0.53,f=-1.6!) USER MOD Single : A 165 ASN : amide:sc= -6.06! C(o=-6.1!,f=-17!) USER MOD Single : A 171 SER OG : rot -32:sc= 0.0444 USER MOD Single : A 175 MET CE :methyl 167:sc= 0 (180deg=-0.21) USER MOD Single : A 177 ASN :FLIP amide:sc= -4.12 F(o=-9.1!,f=-4.1) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -9.476 10.011 5.181 1.00 0.00 N ATOM 130 CA GLN A 100 -9.133 8.570 4.984 1.00 0.00 C ATOM 131 C GLN A 100 -7.938 8.184 5.869 1.00 0.00 C ATOM 132 O GLN A 100 -7.002 8.944 6.033 1.00 0.00 O ATOM 133 CB GLN A 100 -8.785 8.338 3.507 1.00 0.00 C ATOM 134 CG GLN A 100 -10.042 8.544 2.655 1.00 0.00 C ATOM 135 CD GLN A 100 -9.739 8.219 1.190 1.00 0.00 C ATOM 136 OE1 GLN A 100 -9.914 9.051 0.322 1.00 0.00 O ATOM 137 NE2 GLN A 100 -9.297 7.032 0.876 1.00 0.00 N ATOM 0 HA GLN A 100 -9.986 7.952 5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.001 9.027 3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.397 7.329 3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.847 7.906 3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.387 9.574 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.150 6.333 1.604 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.099 6.803 -0.098 1.00 0.00 H new ATOM 146 N SER A 101 -7.966 7.007 6.445 1.00 0.00 N ATOM 147 CA SER A 101 -6.839 6.568 7.327 1.00 0.00 C ATOM 148 C SER A 101 -5.786 5.819 6.501 1.00 0.00 C ATOM 149 O SER A 101 -6.066 5.321 5.428 1.00 0.00 O ATOM 150 CB SER A 101 -7.391 5.642 8.420 1.00 0.00 C ATOM 151 OG SER A 101 -8.286 4.704 7.835 1.00 0.00 O ATOM 0 H SER A 101 -8.722 6.330 6.342 1.00 0.00 H new ATOM 0 HA SER A 101 -6.373 7.442 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.573 5.120 8.917 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.906 6.227 9.182 1.00 0.00 H new ATOM 0 HG SER A 101 -9.187 5.088 7.802 1.00 0.00 H new ATOM 157 N TYR A 102 -4.575 5.735 6.992 1.00 0.00 N ATOM 158 CA TYR A 102 -3.515 5.016 6.227 1.00 0.00 C ATOM 159 C TYR A 102 -3.925 3.553 6.049 1.00 0.00 C ATOM 160 O TYR A 102 -3.762 2.980 4.992 1.00 0.00 O ATOM 161 CB TYR A 102 -2.183 5.042 6.995 1.00 0.00 C ATOM 162 CG TYR A 102 -1.527 6.409 6.939 1.00 0.00 C ATOM 163 CD1 TYR A 102 -1.296 7.043 5.708 1.00 0.00 C ATOM 164 CD2 TYR A 102 -1.126 7.030 8.129 1.00 0.00 C ATOM 165 CE1 TYR A 102 -0.668 8.297 5.674 1.00 0.00 C ATOM 166 CE2 TYR A 102 -0.502 8.280 8.091 1.00 0.00 C ATOM 167 CZ TYR A 102 -0.272 8.913 6.866 1.00 0.00 C ATOM 168 OH TYR A 102 0.346 10.145 6.836 1.00 0.00 O ATOM 0 H TYR A 102 -4.277 6.131 7.884 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.394 5.509 5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.357 4.765 8.035 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.507 4.297 6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.601 6.566 4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.299 6.542 9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.490 8.787 4.728 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.197 8.758 9.010 1.00 0.00 H new ATOM 0 HH TYR A 102 0.554 10.429 7.751 1.00 0.00 H new ATOM 178 N ALA A 103 -4.440 2.936 7.080 1.00 0.00 N ATOM 179 CA ALA A 103 -4.836 1.503 6.959 1.00 0.00 C ATOM 180 C ALA A 103 -5.749 1.328 5.747 1.00 0.00 C ATOM 181 O ALA A 103 -5.536 0.467 4.915 1.00 0.00 O ATOM 182 CB ALA A 103 -5.585 1.058 8.222 1.00 0.00 C ATOM 0 H ALA A 103 -4.602 3.359 7.994 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.939 0.895 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.871 0.011 8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.938 1.179 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.480 1.668 8.348 1.00 0.00 H new ATOM 188 N GLU A 104 -6.762 2.141 5.641 1.00 0.00 N ATOM 189 CA GLU A 104 -7.692 2.023 4.487 1.00 0.00 C ATOM 190 C GLU A 104 -6.952 2.341 3.185 1.00 0.00 C ATOM 191 O GLU A 104 -7.213 1.743 2.158 1.00 0.00 O ATOM 192 CB GLU A 104 -8.867 2.987 4.677 1.00 0.00 C ATOM 193 CG GLU A 104 -9.796 2.439 5.765 1.00 0.00 C ATOM 194 CD GLU A 104 -10.910 3.450 6.054 1.00 0.00 C ATOM 195 OE1 GLU A 104 -10.634 4.435 6.718 1.00 0.00 O ATOM 196 OE2 GLU A 104 -12.023 3.218 5.607 1.00 0.00 O ATOM 0 H GLU A 104 -6.985 2.882 6.305 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.072 1.003 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.501 3.975 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.413 3.104 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.227 1.491 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.229 2.240 6.674 1.00 0.00 H new ATOM 203 N LEU A 105 -6.029 3.265 3.210 1.00 0.00 N ATOM 204 CA LEU A 105 -5.283 3.590 1.964 1.00 0.00 C ATOM 205 C LEU A 105 -4.406 2.399 1.570 1.00 0.00 C ATOM 206 O LEU A 105 -4.359 2.009 0.420 1.00 0.00 O ATOM 207 CB LEU A 105 -4.422 4.836 2.180 1.00 0.00 C ATOM 208 CG LEU A 105 -5.324 6.078 2.222 1.00 0.00 C ATOM 209 CD1 LEU A 105 -4.520 7.281 2.727 1.00 0.00 C ATOM 210 CD2 LEU A 105 -5.868 6.381 0.817 1.00 0.00 C ATOM 0 H LEU A 105 -5.762 3.804 4.034 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.990 3.793 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.862 4.748 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.691 4.930 1.377 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.159 5.887 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.162 8.161 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.144 7.073 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.681 7.466 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.507 7.263 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.036 6.565 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.447 5.530 0.460 1.00 0.00 H new ATOM 222 N ILE A 106 -3.724 1.791 2.510 1.00 0.00 N ATOM 223 CA ILE A 106 -2.890 0.610 2.149 1.00 0.00 C ATOM 224 C ILE A 106 -3.805 -0.443 1.531 1.00 0.00 C ATOM 225 O ILE A 106 -3.464 -1.094 0.565 1.00 0.00 O ATOM 226 CB ILE A 106 -2.229 0.031 3.404 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.288 1.069 4.019 1.00 0.00 C ATOM 228 CG2 ILE A 106 -1.426 -1.218 3.036 1.00 0.00 C ATOM 229 CD1 ILE A 106 -0.770 0.556 5.365 1.00 0.00 C ATOM 0 H ILE A 106 -3.710 2.058 3.494 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.111 0.905 1.446 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.004 -0.231 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.453 1.262 3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.812 2.015 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.958 -1.626 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.092 -1.964 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.655 -0.955 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.100 1.296 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.611 0.385 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.230 -0.379 5.215 1.00 0.00 H new ATOM 241 N SER A 107 -4.975 -0.608 2.085 1.00 0.00 N ATOM 242 CA SER A 107 -5.928 -1.614 1.546 1.00 0.00 C ATOM 243 C SER A 107 -6.191 -1.339 0.067 1.00 0.00 C ATOM 244 O SER A 107 -6.227 -2.244 -0.739 1.00 0.00 O ATOM 245 CB SER A 107 -7.244 -1.529 2.322 1.00 0.00 C ATOM 246 OG SER A 107 -6.971 -1.615 3.714 1.00 0.00 O ATOM 0 H SER A 107 -5.312 -0.085 2.893 1.00 0.00 H new ATOM 0 HA SER A 107 -5.500 -2.611 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.754 -0.592 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.911 -2.336 2.019 1.00 0.00 H new ATOM 0 HG SER A 107 -6.608 -0.761 4.030 1.00 0.00 H new ATOM 252 N GLN A 108 -6.372 -0.102 -0.305 1.00 0.00 N ATOM 253 CA GLN A 108 -6.636 0.202 -1.738 1.00 0.00 C ATOM 254 C GLN A 108 -5.474 -0.304 -2.591 1.00 0.00 C ATOM 255 O GLN A 108 -5.665 -0.812 -3.677 1.00 0.00 O ATOM 256 CB GLN A 108 -6.777 1.712 -1.925 1.00 0.00 C ATOM 257 CG GLN A 108 -8.085 2.186 -1.286 1.00 0.00 C ATOM 258 CD GLN A 108 -9.272 1.702 -2.121 1.00 0.00 C ATOM 259 OE1 GLN A 108 -9.987 0.805 -1.721 1.00 0.00 O ATOM 260 NE2 GLN A 108 -9.524 2.272 -3.268 1.00 0.00 N ATOM 0 H GLN A 108 -6.349 0.706 0.317 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.558 -0.292 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.930 2.226 -1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -6.768 1.960 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.164 1.803 -0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.095 3.274 -1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -8.925 3.025 -3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -10.320 1.964 -3.827 1.00 0.00 H new ATOM 269 N ALA A 109 -4.271 -0.162 -2.112 1.00 0.00 N ATOM 270 CA ALA A 109 -3.096 -0.626 -2.904 1.00 0.00 C ATOM 271 C ALA A 109 -3.208 -2.126 -3.202 1.00 0.00 C ATOM 272 O ALA A 109 -3.196 -2.535 -4.349 1.00 0.00 O ATOM 273 CB ALA A 109 -1.810 -0.350 -2.115 1.00 0.00 C ATOM 0 H ALA A 109 -4.049 0.255 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.071 -0.085 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.949 -0.688 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.722 0.720 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.844 -0.885 -1.166 1.00 0.00 H new ATOM 279 N ILE A 110 -3.310 -2.954 -2.194 1.00 0.00 N ATOM 280 CA ILE A 110 -3.416 -4.419 -2.458 1.00 0.00 C ATOM 281 C ILE A 110 -4.720 -4.709 -3.202 1.00 0.00 C ATOM 282 O ILE A 110 -4.756 -5.497 -4.124 1.00 0.00 O ATOM 283 CB ILE A 110 -3.391 -5.193 -1.134 1.00 0.00 C ATOM 284 CG1 ILE A 110 -2.046 -4.975 -0.438 1.00 0.00 C ATOM 285 CG2 ILE A 110 -3.579 -6.687 -1.406 1.00 0.00 C ATOM 286 CD1 ILE A 110 -2.094 -5.583 0.964 1.00 0.00 C ATOM 0 H ILE A 110 -3.324 -2.683 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.571 -4.736 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.198 -4.834 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.245 -5.434 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.824 -3.910 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -3.561 -7.234 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.537 -6.849 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.774 -7.044 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.136 -5.428 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.884 -5.103 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.296 -6.652 0.890 1.00 0.00 H new ATOM 298 N GLU A 111 -5.790 -4.079 -2.806 1.00 0.00 N ATOM 299 CA GLU A 111 -7.095 -4.318 -3.483 1.00 0.00 C ATOM 300 C GLU A 111 -7.019 -3.939 -4.968 1.00 0.00 C ATOM 301 O GLU A 111 -7.695 -4.518 -5.794 1.00 0.00 O ATOM 302 CB GLU A 111 -8.183 -3.484 -2.803 1.00 0.00 C ATOM 303 CG GLU A 111 -8.475 -4.058 -1.413 1.00 0.00 C ATOM 304 CD GLU A 111 -9.653 -3.312 -0.780 1.00 0.00 C ATOM 305 OE1 GLU A 111 -10.545 -2.919 -1.513 1.00 0.00 O ATOM 306 OE2 GLU A 111 -9.643 -3.145 0.429 1.00 0.00 O ATOM 0 H GLU A 111 -5.817 -3.406 -2.040 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.334 -5.379 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.861 -2.446 -2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.090 -3.488 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.705 -5.121 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.593 -3.967 -0.779 1.00 0.00 H new ATOM 313 N SER A 112 -6.227 -2.964 -5.321 1.00 0.00 N ATOM 314 CA SER A 112 -6.152 -2.551 -6.755 1.00 0.00 C ATOM 315 C SER A 112 -5.305 -3.543 -7.557 1.00 0.00 C ATOM 316 O SER A 112 -5.431 -3.649 -8.761 1.00 0.00 O ATOM 317 CB SER A 112 -5.527 -1.158 -6.850 1.00 0.00 C ATOM 318 OG SER A 112 -6.253 -0.265 -6.016 1.00 0.00 O ATOM 0 H SER A 112 -5.630 -2.436 -4.684 1.00 0.00 H new ATOM 0 HA SER A 112 -7.160 -2.536 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.482 -1.193 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.545 -0.807 -7.882 1.00 0.00 H new ATOM 0 HG SER A 112 -5.769 -0.137 -5.174 1.00 0.00 H new ATOM 324 N ALA A 113 -4.437 -4.259 -6.905 1.00 0.00 N ATOM 325 CA ALA A 113 -3.573 -5.235 -7.627 1.00 0.00 C ATOM 326 C ALA A 113 -4.394 -6.454 -8.062 1.00 0.00 C ATOM 327 O ALA A 113 -5.393 -6.786 -7.457 1.00 0.00 O ATOM 328 CB ALA A 113 -2.459 -5.685 -6.685 1.00 0.00 C ATOM 0 H ALA A 113 -4.286 -4.212 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.154 -4.762 -8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.816 -6.401 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.869 -4.821 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.895 -6.155 -5.804 1.00 0.00 H new ATOM 334 N PRO A 114 -3.953 -7.135 -9.089 1.00 0.00 N ATOM 335 CA PRO A 114 -4.637 -8.360 -9.595 1.00 0.00 C ATOM 336 C PRO A 114 -4.700 -9.457 -8.525 1.00 0.00 C ATOM 337 O PRO A 114 -3.733 -9.727 -7.845 1.00 0.00 O ATOM 338 CB PRO A 114 -3.769 -8.824 -10.779 1.00 0.00 C ATOM 339 CG PRO A 114 -2.460 -8.114 -10.623 1.00 0.00 C ATOM 340 CD PRO A 114 -2.762 -6.811 -9.889 1.00 0.00 C ATOM 0 HA PRO A 114 -5.670 -8.154 -9.877 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.632 -9.905 -10.764 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.239 -8.575 -11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.753 -8.722 -10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.007 -7.917 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -1.927 -6.502 -9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.956 -5.994 -10.584 1.00 0.00 H new ATOM 348 N GLU A 115 -5.828 -10.095 -8.383 1.00 0.00 N ATOM 349 CA GLU A 115 -5.960 -11.186 -7.372 1.00 0.00 C ATOM 350 C GLU A 115 -5.671 -10.655 -5.962 1.00 0.00 C ATOM 351 O GLU A 115 -5.543 -11.420 -5.025 1.00 0.00 O ATOM 352 CB GLU A 115 -4.969 -12.304 -7.702 1.00 0.00 C ATOM 353 CG GLU A 115 -5.247 -12.838 -9.109 1.00 0.00 C ATOM 354 CD GLU A 115 -4.332 -14.032 -9.390 1.00 0.00 C ATOM 355 OE1 GLU A 115 -3.143 -13.817 -9.560 1.00 0.00 O ATOM 356 OE2 GLU A 115 -4.836 -15.143 -9.425 1.00 0.00 O ATOM 0 H GLU A 115 -6.671 -9.908 -8.926 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.980 -11.568 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.948 -11.928 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -5.057 -13.109 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.291 -13.138 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -5.078 -12.054 -9.847 1.00 0.00 H new ATOM 363 N LYS A 116 -5.574 -9.361 -5.796 1.00 0.00 N ATOM 364 CA LYS A 116 -5.303 -8.796 -4.435 1.00 0.00 C ATOM 365 C LYS A 116 -3.976 -9.338 -3.892 1.00 0.00 C ATOM 366 O LYS A 116 -3.957 -10.129 -2.972 1.00 0.00 O ATOM 367 CB LYS A 116 -6.419 -9.196 -3.465 1.00 0.00 C ATOM 368 CG LYS A 116 -7.777 -8.739 -3.996 1.00 0.00 C ATOM 369 CD LYS A 116 -8.840 -9.010 -2.929 1.00 0.00 C ATOM 370 CE LYS A 116 -10.233 -8.760 -3.509 1.00 0.00 C ATOM 371 NZ LYS A 116 -10.492 -9.725 -4.614 1.00 0.00 N ATOM 0 H LYS A 116 -5.670 -8.671 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.255 -7.711 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -6.420 -10.277 -3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.236 -8.751 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.749 -7.677 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.021 -9.271 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.762 -10.039 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.674 -8.365 -2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.988 -8.871 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.306 -7.738 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.517 -9.860 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.095 -9.353 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.045 -10.637 -4.390 1.00 0.00 H new ATOM 385 N ARG A 117 -2.867 -8.923 -4.443 1.00 0.00 N ATOM 386 CA ARG A 117 -1.555 -9.433 -3.940 1.00 0.00 C ATOM 387 C ARG A 117 -0.434 -8.472 -4.350 1.00 0.00 C ATOM 388 O ARG A 117 -0.268 -8.163 -5.511 1.00 0.00 O ATOM 389 CB ARG A 117 -1.266 -10.806 -4.560 1.00 0.00 C ATOM 390 CG ARG A 117 -2.225 -11.860 -4.003 1.00 0.00 C ATOM 391 CD ARG A 117 -1.748 -13.257 -4.418 1.00 0.00 C ATOM 392 NE ARG A 117 -1.856 -13.398 -5.900 1.00 0.00 N ATOM 393 CZ ARG A 117 -1.296 -14.411 -6.509 1.00 0.00 C ATOM 394 NH1 ARG A 117 -0.660 -15.319 -5.821 1.00 0.00 N ATOM 395 NH2 ARG A 117 -1.381 -14.521 -7.806 1.00 0.00 N ATOM 0 H ARG A 117 -2.810 -8.258 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.600 -9.512 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.368 -10.750 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.236 -11.096 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.270 -11.788 -2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.234 -11.683 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.716 -13.410 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.349 -14.020 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.369 -12.701 -6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -0.599 -15.240 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -0.224 -16.108 -6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -1.884 -13.817 -8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -0.944 -15.311 -8.281 1.00 0.00 H new ATOM 409 N LEU A 118 0.351 -8.013 -3.405 1.00 0.00 N ATOM 410 CA LEU A 118 1.472 -7.084 -3.749 1.00 0.00 C ATOM 411 C LEU A 118 2.611 -7.236 -2.742 1.00 0.00 C ATOM 412 O LEU A 118 2.398 -7.527 -1.585 1.00 0.00 O ATOM 413 CB LEU A 118 0.984 -5.634 -3.715 1.00 0.00 C ATOM 414 CG LEU A 118 0.149 -5.325 -4.957 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.286 -3.859 -4.905 1.00 0.00 C ATOM 416 CD2 LEU A 118 0.973 -5.563 -6.235 1.00 0.00 C ATOM 0 H LEU A 118 0.264 -8.241 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 118 1.826 -7.333 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.389 -5.465 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.837 -4.957 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.721 -5.981 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.883 -3.625 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.881 -3.688 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.596 -3.218 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.362 -5.338 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.850 -4.915 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.292 -6.605 -6.274 1.00 0.00 H new ATOM 428 N THR A 119 3.824 -7.018 -3.173 1.00 0.00 N ATOM 429 CA THR A 119 4.975 -7.132 -2.237 1.00 0.00 C ATOM 430 C THR A 119 5.185 -5.786 -1.536 1.00 0.00 C ATOM 431 O THR A 119 4.522 -4.814 -1.829 1.00 0.00 O ATOM 432 CB THR A 119 6.236 -7.525 -3.016 1.00 0.00 C ATOM 433 OG1 THR A 119 6.553 -6.505 -3.954 1.00 0.00 O ATOM 434 CG2 THR A 119 5.987 -8.838 -3.761 1.00 0.00 C ATOM 0 H THR A 119 4.066 -6.766 -4.131 1.00 0.00 H new ATOM 0 HA THR A 119 4.771 -7.900 -1.491 1.00 0.00 H new ATOM 0 HB THR A 119 7.066 -7.651 -2.321 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.572 -6.885 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.883 -9.118 -4.315 1.00 0.00 H new ATOM 0 HG22 THR A 119 5.744 -9.622 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.156 -8.711 -4.455 1.00 0.00 H new ATOM 442 N LEU A 120 6.094 -5.725 -0.604 1.00 0.00 N ATOM 443 CA LEU A 120 6.336 -4.446 0.126 1.00 0.00 C ATOM 444 C LEU A 120 6.725 -3.344 -0.872 1.00 0.00 C ATOM 445 O LEU A 120 6.194 -2.245 -0.847 1.00 0.00 O ATOM 446 CB LEU A 120 7.482 -4.666 1.124 1.00 0.00 C ATOM 447 CG LEU A 120 7.771 -3.385 1.915 1.00 0.00 C ATOM 448 CD1 LEU A 120 6.602 -3.082 2.852 1.00 0.00 C ATOM 449 CD2 LEU A 120 9.044 -3.584 2.750 1.00 0.00 C ATOM 0 H LEU A 120 6.682 -6.507 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 120 5.432 -4.140 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.222 -5.472 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.379 -4.979 0.590 1.00 0.00 H new ATOM 0 HG LEU A 120 7.905 -2.555 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.812 -2.171 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.692 -2.947 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.467 -3.912 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.254 -2.676 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.900 -4.415 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.882 -3.802 2.089 1.00 0.00 H new ATOM 461 N ALA A 121 7.651 -3.629 -1.745 1.00 0.00 N ATOM 462 CA ALA A 121 8.091 -2.611 -2.745 1.00 0.00 C ATOM 463 C ALA A 121 6.908 -2.124 -3.588 1.00 0.00 C ATOM 464 O ALA A 121 6.794 -0.955 -3.903 1.00 0.00 O ATOM 465 CB ALA A 121 9.132 -3.240 -3.675 1.00 0.00 C ATOM 0 H ALA A 121 8.126 -4.529 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 121 8.515 -1.761 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.458 -2.502 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.989 -3.573 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.691 -4.093 -4.190 1.00 0.00 H new ATOM 471 N GLN A 122 6.043 -3.016 -3.975 1.00 0.00 N ATOM 472 CA GLN A 122 4.890 -2.616 -4.823 1.00 0.00 C ATOM 473 C GLN A 122 4.002 -1.627 -4.067 1.00 0.00 C ATOM 474 O GLN A 122 3.392 -0.756 -4.657 1.00 0.00 O ATOM 475 CB GLN A 122 4.095 -3.869 -5.181 1.00 0.00 C ATOM 476 CG GLN A 122 4.985 -4.806 -6.002 1.00 0.00 C ATOM 477 CD GLN A 122 5.200 -4.220 -7.400 1.00 0.00 C ATOM 478 OE1 GLN A 122 4.345 -4.331 -8.255 1.00 0.00 O ATOM 479 NE2 GLN A 122 6.315 -3.599 -7.671 1.00 0.00 N ATOM 0 H GLN A 122 6.085 -4.008 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 122 5.246 -2.131 -5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 122 3.755 -4.371 -4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.205 -3.600 -5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.944 -4.942 -5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 122 4.522 -5.790 -6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.034 -3.505 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.468 -3.207 -8.600 1.00 0.00 H new ATOM 488 N ILE A 123 3.929 -1.732 -2.773 1.00 0.00 N ATOM 489 CA ILE A 123 3.085 -0.773 -2.009 1.00 0.00 C ATOM 490 C ILE A 123 3.613 0.642 -2.224 1.00 0.00 C ATOM 491 O ILE A 123 2.869 1.564 -2.496 1.00 0.00 O ATOM 492 CB ILE A 123 3.143 -1.100 -0.514 1.00 0.00 C ATOM 493 CG1 ILE A 123 2.621 -2.521 -0.286 1.00 0.00 C ATOM 494 CG2 ILE A 123 2.286 -0.087 0.267 1.00 0.00 C ATOM 495 CD1 ILE A 123 2.667 -2.852 1.205 1.00 0.00 C ATOM 0 H ILE A 123 4.413 -2.434 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 123 2.055 -0.849 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 123 4.173 -1.038 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.600 -2.608 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.225 -3.235 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.327 -0.320 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.670 0.919 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.253 -0.143 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.295 -3.864 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.695 -2.783 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.044 -2.146 1.754 1.00 0.00 H new ATOM 507 N TYR A 124 4.896 0.824 -2.085 1.00 0.00 N ATOM 508 CA TYR A 124 5.480 2.186 -2.261 1.00 0.00 C ATOM 509 C TYR A 124 5.199 2.729 -3.667 1.00 0.00 C ATOM 510 O TYR A 124 4.755 3.848 -3.828 1.00 0.00 O ATOM 511 CB TYR A 124 6.994 2.119 -2.052 1.00 0.00 C ATOM 512 CG TYR A 124 7.315 1.438 -0.742 1.00 0.00 C ATOM 513 CD1 TYR A 124 6.516 1.654 0.389 1.00 0.00 C ATOM 514 CD2 TYR A 124 8.426 0.591 -0.660 1.00 0.00 C ATOM 515 CE1 TYR A 124 6.830 1.024 1.597 1.00 0.00 C ATOM 516 CE2 TYR A 124 8.740 -0.038 0.550 1.00 0.00 C ATOM 517 CZ TYR A 124 7.940 0.178 1.679 1.00 0.00 C ATOM 518 OH TYR A 124 8.249 -0.439 2.875 1.00 0.00 O ATOM 0 H TYR A 124 5.567 0.090 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 124 5.022 2.851 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.457 1.575 -2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 124 7.413 3.125 -2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.658 2.307 0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.042 0.423 -1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.214 1.191 2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 124 9.599 -0.690 0.613 1.00 0.00 H new ATOM 0 HH TYR A 124 9.197 -0.297 3.081 1.00 0.00 H new ATOM 528 N GLU A 125 5.485 1.966 -4.685 1.00 0.00 N ATOM 529 CA GLU A 125 5.264 2.453 -6.083 1.00 0.00 C ATOM 530 C GLU A 125 3.793 2.812 -6.325 1.00 0.00 C ATOM 531 O GLU A 125 3.488 3.765 -7.012 1.00 0.00 O ATOM 532 CB GLU A 125 5.697 1.364 -7.072 1.00 0.00 C ATOM 533 CG GLU A 125 7.200 1.111 -6.921 1.00 0.00 C ATOM 534 CD GLU A 125 7.675 0.155 -8.019 1.00 0.00 C ATOM 535 OE1 GLU A 125 7.388 -1.027 -7.914 1.00 0.00 O ATOM 536 OE2 GLU A 125 8.315 0.621 -8.946 1.00 0.00 O ATOM 0 H GLU A 125 5.864 1.022 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 125 5.859 3.354 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.141 0.445 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.469 1.672 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.745 2.053 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.410 0.686 -5.939 1.00 0.00 H new ATOM 543 N TRP A 126 2.879 2.052 -5.784 1.00 0.00 N ATOM 544 CA TRP A 126 1.431 2.346 -6.011 1.00 0.00 C ATOM 545 C TRP A 126 1.086 3.741 -5.485 1.00 0.00 C ATOM 546 O TRP A 126 0.558 4.571 -6.198 1.00 0.00 O ATOM 547 CB TRP A 126 0.590 1.294 -5.278 1.00 0.00 C ATOM 548 CG TRP A 126 -0.864 1.513 -5.558 1.00 0.00 C ATOM 549 CD1 TRP A 126 -1.523 1.061 -6.652 1.00 0.00 C ATOM 550 CD2 TRP A 126 -1.856 2.212 -4.746 1.00 0.00 C ATOM 551 NE1 TRP A 126 -2.849 1.450 -6.567 1.00 0.00 N ATOM 552 CE2 TRP A 126 -3.102 2.162 -5.413 1.00 0.00 C ATOM 553 CE3 TRP A 126 -1.793 2.882 -3.513 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -4.245 2.756 -4.874 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -2.941 3.481 -2.966 1.00 0.00 C ATOM 556 CH2 TRP A 126 -4.164 3.418 -3.648 1.00 0.00 C ATOM 0 H TRP A 126 3.070 1.241 -5.195 1.00 0.00 H new ATOM 0 HA TRP A 126 1.217 2.314 -7.079 1.00 0.00 H new ATOM 0 HB2 TRP A 126 0.884 0.294 -5.598 1.00 0.00 H new ATOM 0 HB3 TRP A 126 0.775 1.352 -4.205 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -1.086 0.491 -7.458 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.554 1.236 -7.273 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -0.855 2.937 -2.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.185 2.704 -5.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -2.880 3.992 -2.016 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -5.043 3.881 -3.225 1.00 0.00 H new ATOM 567 N MET A 127 1.375 4.002 -4.245 1.00 0.00 N ATOM 568 CA MET A 127 1.061 5.343 -3.677 1.00 0.00 C ATOM 569 C MET A 127 1.783 6.419 -4.483 1.00 0.00 C ATOM 570 O MET A 127 1.253 7.485 -4.735 1.00 0.00 O ATOM 571 CB MET A 127 1.521 5.401 -2.219 1.00 0.00 C ATOM 572 CG MET A 127 0.682 4.427 -1.390 1.00 0.00 C ATOM 573 SD MET A 127 1.029 4.657 0.368 1.00 0.00 S ATOM 574 CE MET A 127 -0.626 4.252 0.976 1.00 0.00 C ATOM 0 H MET A 127 1.815 3.347 -3.598 1.00 0.00 H new ATOM 0 HA MET A 127 -0.014 5.515 -3.725 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.577 5.142 -2.148 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.414 6.414 -1.831 1.00 0.00 H new ATOM 0 HG2 MET A 127 -0.378 4.590 -1.585 1.00 0.00 H new ATOM 0 HG3 MET A 127 0.906 3.401 -1.682 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.644 4.331 2.063 1.00 0.00 H new ATOM 0 HE2 MET A 127 -1.350 4.946 0.550 1.00 0.00 H new ATOM 0 HE3 MET A 127 -0.883 3.234 0.682 1.00 0.00 H new ATOM 584 N VAL A 128 2.994 6.156 -4.875 1.00 0.00 N ATOM 585 CA VAL A 128 3.765 7.164 -5.648 1.00 0.00 C ATOM 586 C VAL A 128 3.103 7.414 -7.009 1.00 0.00 C ATOM 587 O VAL A 128 2.846 8.542 -7.381 1.00 0.00 O ATOM 588 CB VAL A 128 5.191 6.646 -5.864 1.00 0.00 C ATOM 589 CG1 VAL A 128 6.007 7.679 -6.655 1.00 0.00 C ATOM 590 CG2 VAL A 128 5.860 6.390 -4.502 1.00 0.00 C ATOM 0 H VAL A 128 3.486 5.282 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 128 3.787 8.100 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 128 5.152 5.714 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 128 7.020 7.305 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.536 7.851 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.045 8.616 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.874 6.022 -4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.895 7.319 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 128 5.286 5.647 -3.948 1.00 0.00 H new ATOM 600 N ARG A 129 2.846 6.378 -7.765 1.00 0.00 N ATOM 601 CA ARG A 129 2.225 6.574 -9.109 1.00 0.00 C ATOM 602 C ARG A 129 0.727 6.896 -8.998 1.00 0.00 C ATOM 603 O ARG A 129 0.181 7.588 -9.835 1.00 0.00 O ATOM 604 CB ARG A 129 2.422 5.316 -9.950 1.00 0.00 C ATOM 605 CG ARG A 129 1.537 4.190 -9.428 1.00 0.00 C ATOM 606 CD ARG A 129 1.971 2.881 -10.086 1.00 0.00 C ATOM 607 NE ARG A 129 0.924 1.843 -9.882 1.00 0.00 N ATOM 608 CZ ARG A 129 0.957 0.740 -10.577 1.00 0.00 C ATOM 609 NH1 ARG A 129 1.925 0.545 -11.433 1.00 0.00 N ATOM 610 NH2 ARG A 129 0.033 -0.167 -10.418 1.00 0.00 N ATOM 0 H ARG A 129 3.038 5.409 -7.511 1.00 0.00 H new ATOM 0 HA ARG A 129 2.714 7.422 -9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.180 5.525 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.468 5.010 -9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.622 4.114 -8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.491 4.397 -9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.139 3.037 -11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.917 2.545 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 129 0.181 1.994 -9.199 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.649 1.253 -11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.957 -0.316 -11.980 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.720 -0.015 -9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.064 -1.028 -10.964 1.00 0.00 H new ATOM 624 N THR A 130 0.052 6.409 -7.991 1.00 0.00 N ATOM 625 CA THR A 130 -1.407 6.714 -7.882 1.00 0.00 C ATOM 626 C THR A 130 -1.586 8.111 -7.291 1.00 0.00 C ATOM 627 O THR A 130 -2.336 8.923 -7.797 1.00 0.00 O ATOM 628 CB THR A 130 -2.101 5.700 -6.955 1.00 0.00 C ATOM 629 OG1 THR A 130 -1.757 4.377 -7.336 1.00 0.00 O ATOM 630 CG2 THR A 130 -3.621 5.879 -7.049 1.00 0.00 C ATOM 0 H THR A 130 0.438 5.823 -7.250 1.00 0.00 H new ATOM 0 HA THR A 130 -1.850 6.658 -8.876 1.00 0.00 H new ATOM 0 HB THR A 130 -1.773 5.872 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.940 4.104 -6.869 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.113 5.161 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 130 -3.888 6.891 -6.745 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.944 5.712 -8.077 1.00 0.00 H new ATOM 638 N VAL A 131 -0.910 8.391 -6.210 1.00 0.00 N ATOM 639 CA VAL A 131 -1.042 9.724 -5.559 1.00 0.00 C ATOM 640 C VAL A 131 0.134 10.633 -5.954 1.00 0.00 C ATOM 641 O VAL A 131 1.281 10.235 -5.879 1.00 0.00 O ATOM 642 CB VAL A 131 -1.052 9.521 -4.044 1.00 0.00 C ATOM 643 CG1 VAL A 131 -1.388 10.840 -3.347 1.00 0.00 C ATOM 644 CG2 VAL A 131 -2.109 8.462 -3.682 1.00 0.00 C ATOM 0 H VAL A 131 -0.267 7.748 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 131 -1.967 10.201 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.068 9.185 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.394 10.690 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.639 11.589 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.371 11.183 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.120 8.313 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.091 8.801 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.865 7.521 -4.175 1.00 0.00 H new ATOM 654 N PRO A 132 -0.141 11.855 -6.360 1.00 0.00 N ATOM 655 CA PRO A 132 0.921 12.827 -6.746 1.00 0.00 C ATOM 656 C PRO A 132 1.553 13.500 -5.519 1.00 0.00 C ATOM 657 O PRO A 132 2.668 13.980 -5.562 1.00 0.00 O ATOM 658 CB PRO A 132 0.172 13.862 -7.590 1.00 0.00 C ATOM 659 CG PRO A 132 -1.242 13.832 -7.101 1.00 0.00 C ATOM 660 CD PRO A 132 -1.488 12.443 -6.497 1.00 0.00 C ATOM 0 HA PRO A 132 1.744 12.346 -7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.607 14.854 -7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.225 13.616 -8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.407 14.610 -6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.936 14.023 -7.920 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -1.990 12.513 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -2.122 11.836 -7.143 1.00 0.00 H new ATOM 668 N TYR A 133 0.833 13.542 -4.432 1.00 0.00 N ATOM 669 CA TYR A 133 1.355 14.190 -3.193 1.00 0.00 C ATOM 670 C TYR A 133 2.680 13.545 -2.757 1.00 0.00 C ATOM 671 O TYR A 133 3.553 14.207 -2.228 1.00 0.00 O ATOM 672 CB TYR A 133 0.316 14.029 -2.076 1.00 0.00 C ATOM 673 CG TYR A 133 0.746 14.797 -0.842 1.00 0.00 C ATOM 674 CD1 TYR A 133 0.636 16.194 -0.810 1.00 0.00 C ATOM 675 CD2 TYR A 133 1.245 14.110 0.273 1.00 0.00 C ATOM 676 CE1 TYR A 133 1.026 16.901 0.336 1.00 0.00 C ATOM 677 CE2 TYR A 133 1.635 14.819 1.418 1.00 0.00 C ATOM 678 CZ TYR A 133 1.527 16.214 1.449 1.00 0.00 C ATOM 679 OH TYR A 133 1.916 16.912 2.573 1.00 0.00 O ATOM 0 H TYR A 133 -0.105 13.151 -4.347 1.00 0.00 H new ATOM 0 HA TYR A 133 1.537 15.246 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.654 14.390 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 133 0.195 12.974 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 133 0.251 16.725 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.329 13.034 0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 133 0.940 17.977 0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.019 14.288 2.277 1.00 0.00 H new ATOM 0 HH TYR A 133 2.238 16.284 3.253 1.00 0.00 H new ATOM 689 N PHE A 134 2.836 12.260 -2.950 1.00 0.00 N ATOM 690 CA PHE A 134 4.103 11.591 -2.517 1.00 0.00 C ATOM 691 C PHE A 134 5.166 11.649 -3.624 1.00 0.00 C ATOM 692 O PHE A 134 6.340 11.478 -3.359 1.00 0.00 O ATOM 693 CB PHE A 134 3.814 10.123 -2.166 1.00 0.00 C ATOM 694 CG PHE A 134 3.277 10.023 -0.754 1.00 0.00 C ATOM 695 CD1 PHE A 134 4.034 10.506 0.324 1.00 0.00 C ATOM 696 CD2 PHE A 134 2.023 9.447 -0.522 1.00 0.00 C ATOM 697 CE1 PHE A 134 3.536 10.411 1.628 1.00 0.00 C ATOM 698 CE2 PHE A 134 1.526 9.353 0.785 1.00 0.00 C ATOM 699 CZ PHE A 134 2.281 9.834 1.859 1.00 0.00 C ATOM 0 H PHE A 134 2.147 11.647 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 134 4.486 12.117 -1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 134 3.091 9.708 -2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.725 9.532 -2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 134 5.002 10.951 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 134 1.438 9.075 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 134 4.120 10.783 2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 134 0.558 8.908 0.963 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.897 9.761 2.866 1.00 0.00 H new ATOM 709 N LYS A 135 4.786 11.884 -4.850 1.00 0.00 N ATOM 710 CA LYS A 135 5.814 11.944 -5.935 1.00 0.00 C ATOM 711 C LYS A 135 6.840 13.024 -5.595 1.00 0.00 C ATOM 712 O LYS A 135 8.030 12.838 -5.749 1.00 0.00 O ATOM 713 CB LYS A 135 5.153 12.317 -7.261 1.00 0.00 C ATOM 714 CG LYS A 135 4.274 11.171 -7.760 1.00 0.00 C ATOM 715 CD LYS A 135 3.715 11.548 -9.135 1.00 0.00 C ATOM 716 CE LYS A 135 2.621 10.562 -9.551 1.00 0.00 C ATOM 717 NZ LYS A 135 1.744 11.208 -10.569 1.00 0.00 N ATOM 0 H LYS A 135 3.822 12.036 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 135 6.294 10.969 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 135 4.551 13.217 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.917 12.547 -8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 135 4.854 10.251 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 135 3.460 10.985 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.311 12.560 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 135 4.516 11.546 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 135 3.067 9.656 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 135 2.033 10.264 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.998 10.543 -10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.310 12.061 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 2.312 11.471 -11.400 1.00 0.00 H new ATOM 731 N ASP A 136 6.381 14.150 -5.132 1.00 0.00 N ATOM 732 CA ASP A 136 7.315 15.253 -4.777 1.00 0.00 C ATOM 733 C ASP A 136 8.158 14.819 -3.580 1.00 0.00 C ATOM 734 O ASP A 136 9.331 15.113 -3.491 1.00 0.00 O ATOM 735 CB ASP A 136 6.497 16.501 -4.430 1.00 0.00 C ATOM 736 CG ASP A 136 7.390 17.559 -3.771 1.00 0.00 C ATOM 737 OD1 ASP A 136 8.566 17.296 -3.596 1.00 0.00 O ATOM 738 OD2 ASP A 136 6.874 18.618 -3.451 1.00 0.00 O ATOM 0 H ASP A 136 5.393 14.356 -4.983 1.00 0.00 H new ATOM 0 HA ASP A 136 7.975 15.481 -5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.044 16.910 -5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 136 5.682 16.234 -3.758 1.00 0.00 H new ATOM 743 N LYS A 137 7.572 14.106 -2.665 1.00 0.00 N ATOM 744 CA LYS A 137 8.343 13.641 -1.484 1.00 0.00 C ATOM 745 C LYS A 137 9.478 12.731 -1.954 1.00 0.00 C ATOM 746 O LYS A 137 10.442 12.511 -1.250 1.00 0.00 O ATOM 747 CB LYS A 137 7.413 12.870 -0.543 1.00 0.00 C ATOM 748 CG LYS A 137 6.242 13.769 -0.127 1.00 0.00 C ATOM 749 CD LYS A 137 6.788 15.055 0.500 1.00 0.00 C ATOM 750 CE LYS A 137 5.692 15.775 1.295 1.00 0.00 C ATOM 751 NZ LYS A 137 4.904 14.792 2.089 1.00 0.00 N ATOM 0 H LYS A 137 6.592 13.825 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 137 8.761 14.496 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.039 11.974 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 137 7.963 12.540 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.626 14.007 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.603 13.247 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 137 7.625 14.819 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 137 7.170 15.713 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.140 16.514 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.034 16.315 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 4.492 15.266 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.142 14.401 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.527 14.022 2.405 1.00 0.00 H new ATOM 765 N GLY A 138 9.369 12.199 -3.139 1.00 0.00 N ATOM 766 CA GLY A 138 10.437 11.299 -3.657 1.00 0.00 C ATOM 767 C GLY A 138 11.729 12.090 -3.915 1.00 0.00 C ATOM 768 O GLY A 138 12.817 11.588 -3.721 1.00 0.00 O ATOM 0 H GLY A 138 8.584 12.349 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.629 10.502 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.104 10.824 -4.580 1.00 0.00 H new ATOM 772 N ASP A 139 11.620 13.310 -4.373 1.00 0.00 N ATOM 773 CA ASP A 139 12.847 14.113 -4.669 1.00 0.00 C ATOM 774 C ASP A 139 13.376 14.804 -3.406 1.00 0.00 C ATOM 775 O ASP A 139 14.081 15.790 -3.485 1.00 0.00 O ATOM 776 CB ASP A 139 12.516 15.162 -5.729 1.00 0.00 C ATOM 777 CG ASP A 139 12.149 14.459 -7.037 1.00 0.00 C ATOM 778 OD1 ASP A 139 12.728 13.421 -7.311 1.00 0.00 O ATOM 779 OD2 ASP A 139 11.296 14.971 -7.743 1.00 0.00 O ATOM 0 H ASP A 139 10.736 13.786 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 139 13.622 13.440 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 139 11.688 15.786 -5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 139 13.370 15.821 -5.884 1.00 0.00 H new ATOM 784 N SER A 140 13.055 14.300 -2.245 1.00 0.00 N ATOM 785 CA SER A 140 13.556 14.937 -0.987 1.00 0.00 C ATOM 786 C SER A 140 13.801 13.852 0.064 1.00 0.00 C ATOM 787 O SER A 140 13.302 12.749 -0.048 1.00 0.00 O ATOM 788 CB SER A 140 12.517 15.931 -0.465 1.00 0.00 C ATOM 789 OG SER A 140 13.071 16.661 0.623 1.00 0.00 O ATOM 0 H SER A 140 12.469 13.476 -2.110 1.00 0.00 H new ATOM 0 HA SER A 140 14.487 15.466 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.217 16.613 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.620 15.402 -0.144 1.00 0.00 H new ATOM 0 HG SER A 140 12.409 17.300 0.959 1.00 0.00 H new ATOM 795 N ASN A 141 14.556 14.147 1.089 1.00 0.00 N ATOM 796 CA ASN A 141 14.806 13.118 2.136 1.00 0.00 C ATOM 797 C ASN A 141 13.515 12.897 2.922 1.00 0.00 C ATOM 798 O ASN A 141 13.300 11.858 3.511 1.00 0.00 O ATOM 799 CB ASN A 141 15.916 13.587 3.080 1.00 0.00 C ATOM 800 CG ASN A 141 17.240 13.643 2.316 1.00 0.00 C ATOM 801 OD1 ASN A 141 17.423 12.942 1.341 1.00 0.00 O ATOM 802 ND2 ASN A 141 18.177 14.455 2.718 1.00 0.00 N ATOM 0 H ASN A 141 15.006 15.049 1.245 1.00 0.00 H new ATOM 0 HA ASN A 141 15.121 12.185 1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 141 15.674 14.570 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 141 16.000 12.906 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 141 19.063 14.501 2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 141 18.025 15.044 3.537 1.00 0.00 H new ATOM 809 N SER A 142 12.646 13.872 2.919 1.00 0.00 N ATOM 810 CA SER A 142 11.355 13.737 3.651 1.00 0.00 C ATOM 811 C SER A 142 10.739 12.374 3.339 1.00 0.00 C ATOM 812 O SER A 142 9.998 11.821 4.127 1.00 0.00 O ATOM 813 CB SER A 142 10.397 14.830 3.181 1.00 0.00 C ATOM 814 OG SER A 142 10.880 16.097 3.600 1.00 0.00 O ATOM 0 H SER A 142 12.777 14.762 2.437 1.00 0.00 H new ATOM 0 HA SER A 142 11.530 13.829 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 142 10.305 14.805 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 142 9.401 14.656 3.589 1.00 0.00 H new ATOM 0 HG SER A 142 10.266 16.798 3.297 1.00 0.00 H new ATOM 820 N SER A 143 11.034 11.842 2.186 1.00 0.00 N ATOM 821 CA SER A 143 10.459 10.525 1.795 1.00 0.00 C ATOM 822 C SER A 143 10.667 9.502 2.920 1.00 0.00 C ATOM 823 O SER A 143 9.842 8.637 3.138 1.00 0.00 O ATOM 824 CB SER A 143 11.146 10.039 0.516 1.00 0.00 C ATOM 825 OG SER A 143 12.147 9.085 0.850 1.00 0.00 O ATOM 0 H SER A 143 11.652 12.265 1.494 1.00 0.00 H new ATOM 0 HA SER A 143 9.389 10.635 1.618 1.00 0.00 H new ATOM 0 HB2 SER A 143 10.413 9.593 -0.157 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.593 10.881 -0.012 1.00 0.00 H new ATOM 0 HG SER A 143 12.586 8.772 0.032 1.00 0.00 H new ATOM 831 N ALA A 144 11.756 9.587 3.637 1.00 0.00 N ATOM 832 CA ALA A 144 11.994 8.614 4.744 1.00 0.00 C ATOM 833 C ALA A 144 10.887 8.754 5.797 1.00 0.00 C ATOM 834 O ALA A 144 10.530 7.808 6.470 1.00 0.00 O ATOM 835 CB ALA A 144 13.355 8.900 5.393 1.00 0.00 C ATOM 0 H ALA A 144 12.488 10.285 3.505 1.00 0.00 H new ATOM 0 HA ALA A 144 11.988 7.600 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 144 13.529 8.190 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.143 8.800 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 144 13.361 9.914 5.793 1.00 0.00 H new ATOM 841 N GLY A 145 10.367 9.942 5.957 1.00 0.00 N ATOM 842 CA GLY A 145 9.305 10.181 6.978 1.00 0.00 C ATOM 843 C GLY A 145 8.129 9.216 6.797 1.00 0.00 C ATOM 844 O GLY A 145 8.077 8.168 7.409 1.00 0.00 O ATOM 0 H GLY A 145 10.636 10.765 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 145 9.725 10.062 7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 145 8.950 11.209 6.902 1.00 0.00 H new ATOM 848 N TRP A 146 7.166 9.572 5.986 1.00 0.00 N ATOM 849 CA TRP A 146 5.980 8.684 5.802 1.00 0.00 C ATOM 850 C TRP A 146 6.422 7.252 5.485 1.00 0.00 C ATOM 851 O TRP A 146 5.740 6.303 5.810 1.00 0.00 O ATOM 852 CB TRP A 146 5.089 9.214 4.674 1.00 0.00 C ATOM 853 CG TRP A 146 5.744 8.999 3.344 1.00 0.00 C ATOM 854 CD1 TRP A 146 6.919 9.547 2.956 1.00 0.00 C ATOM 855 CD2 TRP A 146 5.268 8.208 2.216 1.00 0.00 C ATOM 856 NE1 TRP A 146 7.200 9.130 1.666 1.00 0.00 N ATOM 857 CE2 TRP A 146 6.211 8.306 1.167 1.00 0.00 C ATOM 858 CE3 TRP A 146 4.124 7.421 2.005 1.00 0.00 C ATOM 859 CZ2 TRP A 146 6.024 7.646 -0.049 1.00 0.00 C ATOM 860 CZ3 TRP A 146 3.933 6.758 0.783 1.00 0.00 C ATOM 861 CH2 TRP A 146 4.881 6.869 -0.242 1.00 0.00 C ATOM 0 H TRP A 146 7.150 10.437 5.445 1.00 0.00 H new ATOM 0 HA TRP A 146 5.411 8.677 6.732 1.00 0.00 H new ATOM 0 HB2 TRP A 146 4.124 8.708 4.697 1.00 0.00 H new ATOM 0 HB3 TRP A 146 4.896 10.276 4.824 1.00 0.00 H new ATOM 0 HD1 TRP A 146 7.536 10.202 3.554 1.00 0.00 H new ATOM 0 HE1 TRP A 146 8.036 9.399 1.147 1.00 0.00 H new ATOM 0 HE3 TRP A 146 3.387 7.325 2.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 6.759 7.736 -0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 3.048 6.158 0.632 1.00 0.00 H new ATOM 0 HH2 TRP A 146 4.728 6.355 -1.179 1.00 0.00 H new ATOM 872 N LYS A 147 7.546 7.078 4.851 1.00 0.00 N ATOM 873 CA LYS A 147 7.995 5.693 4.527 1.00 0.00 C ATOM 874 C LYS A 147 8.024 4.860 5.808 1.00 0.00 C ATOM 875 O LYS A 147 7.459 3.786 5.874 1.00 0.00 O ATOM 876 CB LYS A 147 9.396 5.743 3.909 1.00 0.00 C ATOM 877 CG LYS A 147 9.857 4.328 3.546 1.00 0.00 C ATOM 878 CD LYS A 147 11.336 4.361 3.157 1.00 0.00 C ATOM 879 CE LYS A 147 11.719 3.037 2.495 1.00 0.00 C ATOM 880 NZ LYS A 147 11.217 1.908 3.325 1.00 0.00 N ATOM 0 H LYS A 147 8.169 7.825 4.545 1.00 0.00 H new ATOM 0 HA LYS A 147 7.305 5.239 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 147 9.388 6.372 3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 147 10.097 6.194 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 147 9.707 3.656 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 147 9.261 3.940 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 147 11.525 5.189 2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 147 11.952 4.530 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 147 11.295 2.983 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 147 12.802 2.971 2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 11.742 1.042 3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 11.353 2.130 4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 10.205 1.762 3.137 1.00 0.00 H new ATOM 894 N ASN A 148 8.670 5.344 6.829 1.00 0.00 N ATOM 895 CA ASN A 148 8.722 4.578 8.102 1.00 0.00 C ATOM 896 C ASN A 148 7.303 4.382 8.634 1.00 0.00 C ATOM 897 O ASN A 148 6.962 3.343 9.164 1.00 0.00 O ATOM 898 CB ASN A 148 9.555 5.349 9.127 1.00 0.00 C ATOM 899 CG ASN A 148 11.017 5.373 8.680 1.00 0.00 C ATOM 900 OD1 ASN A 148 11.544 4.374 8.235 1.00 0.00 O ATOM 901 ND2 ASN A 148 11.704 6.480 8.787 1.00 0.00 N ATOM 0 H ASN A 148 9.164 6.236 6.837 1.00 0.00 H new ATOM 0 HA ASN A 148 9.180 3.605 7.925 1.00 0.00 H new ATOM 0 HB2 ASN A 148 9.177 6.367 9.227 1.00 0.00 H new ATOM 0 HB3 ASN A 148 9.471 4.880 10.107 1.00 0.00 H new ATOM 0 HD21 ASN A 148 12.682 6.504 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 148 11.262 7.320 9.161 1.00 0.00 H new ATOM 908 N SER A 149 6.478 5.385 8.505 1.00 0.00 N ATOM 909 CA SER A 149 5.082 5.280 9.010 1.00 0.00 C ATOM 910 C SER A 149 4.383 4.062 8.406 1.00 0.00 C ATOM 911 O SER A 149 3.775 3.276 9.105 1.00 0.00 O ATOM 912 CB SER A 149 4.310 6.541 8.624 1.00 0.00 C ATOM 913 OG SER A 149 3.715 6.363 7.344 1.00 0.00 O ATOM 0 H SER A 149 6.713 6.277 8.069 1.00 0.00 H new ATOM 0 HA SER A 149 5.109 5.171 10.094 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.541 6.751 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 149 4.981 7.400 8.608 1.00 0.00 H new ATOM 0 HG SER A 149 4.341 6.654 6.649 1.00 0.00 H new ATOM 919 N ILE A 150 4.442 3.907 7.113 1.00 0.00 N ATOM 920 CA ILE A 150 3.752 2.746 6.481 1.00 0.00 C ATOM 921 C ILE A 150 4.335 1.424 6.989 1.00 0.00 C ATOM 922 O ILE A 150 3.604 0.541 7.389 1.00 0.00 O ATOM 923 CB ILE A 150 3.902 2.794 4.964 1.00 0.00 C ATOM 924 CG1 ILE A 150 3.411 4.149 4.442 1.00 0.00 C ATOM 925 CG2 ILE A 150 3.059 1.665 4.354 1.00 0.00 C ATOM 926 CD1 ILE A 150 3.557 4.209 2.916 1.00 0.00 C ATOM 0 H ILE A 150 4.934 4.528 6.470 1.00 0.00 H new ATOM 0 HA ILE A 150 2.697 2.805 6.749 1.00 0.00 H new ATOM 0 HB ILE A 150 4.948 2.667 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 150 2.368 4.299 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.984 4.954 4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 150 3.155 1.685 3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 150 3.409 0.704 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 150 2.013 1.803 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 150 3.206 5.175 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 150 4.605 4.080 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 150 2.964 3.415 2.462 1.00 0.00 H new ATOM 938 N ARG A 151 5.633 1.263 6.972 1.00 0.00 N ATOM 939 CA ARG A 151 6.213 -0.027 7.452 1.00 0.00 C ATOM 940 C ARG A 151 5.600 -0.363 8.810 1.00 0.00 C ATOM 941 O ARG A 151 5.312 -1.502 9.113 1.00 0.00 O ATOM 942 CB ARG A 151 7.734 0.097 7.607 1.00 0.00 C ATOM 943 CG ARG A 151 8.386 0.279 6.235 1.00 0.00 C ATOM 944 CD ARG A 151 9.908 0.179 6.378 1.00 0.00 C ATOM 945 NE ARG A 151 10.280 -1.191 6.827 1.00 0.00 N ATOM 946 CZ ARG A 151 11.518 -1.596 6.733 1.00 0.00 C ATOM 947 NH1 ARG A 151 12.434 -0.806 6.239 1.00 0.00 N ATOM 948 NH2 ARG A 151 11.840 -2.793 7.134 1.00 0.00 N ATOM 0 H ARG A 151 6.308 1.957 6.652 1.00 0.00 H new ATOM 0 HA ARG A 151 5.994 -0.812 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.975 0.945 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 151 8.132 -0.794 8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 151 8.024 -0.482 5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 151 8.112 1.247 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 151 10.388 0.403 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 151 10.265 0.917 7.096 1.00 0.00 H new ATOM 0 HE ARG A 151 9.568 -1.814 7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 151 12.183 0.132 5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 151 13.400 -1.127 6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 151 11.126 -3.411 7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 151 12.806 -3.112 7.062 1.00 0.00 H new ATOM 962 N HIS A 152 5.405 0.631 9.627 1.00 0.00 N ATOM 963 CA HIS A 152 4.816 0.397 10.973 1.00 0.00 C ATOM 964 C HIS A 152 3.374 -0.122 10.841 1.00 0.00 C ATOM 965 O HIS A 152 2.939 -0.959 11.605 1.00 0.00 O ATOM 966 CB HIS A 152 4.828 1.721 11.744 1.00 0.00 C ATOM 967 CG HIS A 152 4.753 1.458 13.222 1.00 0.00 C ATOM 968 ND1 HIS A 152 5.812 0.905 13.931 1.00 0.00 N ATOM 969 CD2 HIS A 152 3.759 1.678 14.140 1.00 0.00 C ATOM 970 CE1 HIS A 152 5.432 0.811 15.218 1.00 0.00 C ATOM 971 NE2 HIS A 152 4.191 1.269 15.397 1.00 0.00 N ATOM 0 H HIS A 152 5.630 1.604 9.419 1.00 0.00 H new ATOM 0 HA HIS A 152 5.401 -0.352 11.507 1.00 0.00 H new ATOM 0 HB2 HIS A 152 5.735 2.278 11.511 1.00 0.00 H new ATOM 0 HB3 HIS A 152 3.986 2.339 11.433 1.00 0.00 H new ATOM 0 HD2 HIS A 152 2.791 2.103 13.921 1.00 0.00 H new ATOM 0 HE1 HIS A 152 6.053 0.415 16.008 1.00 0.00 H new ATOM 0 HE2 HIS A 152 3.669 1.310 16.272 1.00 0.00 H new ATOM 980 N ASN A 153 2.628 0.374 9.889 1.00 0.00 N ATOM 981 CA ASN A 153 1.210 -0.084 9.721 1.00 0.00 C ATOM 982 C ASN A 153 1.148 -1.517 9.175 1.00 0.00 C ATOM 983 O ASN A 153 0.294 -2.292 9.556 1.00 0.00 O ATOM 984 CB ASN A 153 0.495 0.858 8.754 1.00 0.00 C ATOM 985 CG ASN A 153 0.250 2.203 9.442 1.00 0.00 C ATOM 986 OD1 ASN A 153 -0.825 2.451 9.950 1.00 0.00 O ATOM 987 ND2 ASN A 153 1.210 3.087 9.481 1.00 0.00 N ATOM 0 H ASN A 153 2.937 1.077 9.218 1.00 0.00 H new ATOM 0 HA ASN A 153 0.724 -0.071 10.696 1.00 0.00 H new ATOM 0 HB2 ASN A 153 1.097 1.001 7.856 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -0.452 0.421 8.437 1.00 0.00 H new ATOM 0 HD21 ASN A 153 1.057 3.986 9.938 1.00 0.00 H new ATOM 0 HD22 ASN A 153 2.113 2.879 9.054 1.00 0.00 H new ATOM 994 N LEU A 154 2.023 -1.875 8.274 1.00 0.00 N ATOM 995 CA LEU A 154 1.972 -3.256 7.704 1.00 0.00 C ATOM 996 C LEU A 154 1.953 -4.303 8.816 1.00 0.00 C ATOM 997 O LEU A 154 1.234 -5.282 8.740 1.00 0.00 O ATOM 998 CB LEU A 154 3.206 -3.504 6.832 1.00 0.00 C ATOM 999 CG LEU A 154 3.173 -2.614 5.589 1.00 0.00 C ATOM 1000 CD1 LEU A 154 4.378 -2.944 4.700 1.00 0.00 C ATOM 1001 CD2 LEU A 154 1.882 -2.856 4.802 1.00 0.00 C ATOM 0 H LEU A 154 2.765 -1.278 7.909 1.00 0.00 H new ATOM 0 HA LEU A 154 1.062 -3.340 7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 154 4.110 -3.303 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.244 -4.552 6.535 1.00 0.00 H new ATOM 0 HG LEU A 154 3.212 -1.569 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 154 4.359 -2.312 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 154 5.299 -2.764 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 154 4.334 -3.991 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.869 -2.217 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.834 -3.901 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.023 -2.623 5.431 1.00 0.00 H new ATOM 1013 N SER A 155 2.745 -4.128 9.838 1.00 0.00 N ATOM 1014 CA SER A 155 2.774 -5.144 10.927 1.00 0.00 C ATOM 1015 C SER A 155 1.538 -5.003 11.817 1.00 0.00 C ATOM 1016 O SER A 155 0.878 -5.973 12.127 1.00 0.00 O ATOM 1017 CB SER A 155 4.036 -4.961 11.764 1.00 0.00 C ATOM 1018 OG SER A 155 5.170 -5.086 10.917 1.00 0.00 O ATOM 0 H SER A 155 3.369 -3.331 9.966 1.00 0.00 H new ATOM 0 HA SER A 155 2.774 -6.139 10.482 1.00 0.00 H new ATOM 0 HB2 SER A 155 4.031 -3.983 12.246 1.00 0.00 H new ATOM 0 HB3 SER A 155 4.074 -5.707 12.558 1.00 0.00 H new ATOM 0 HG SER A 155 5.987 -4.968 11.445 1.00 0.00 H new ATOM 1024 N LEU A 156 1.208 -3.813 12.224 1.00 0.00 N ATOM 1025 CA LEU A 156 0.005 -3.644 13.085 1.00 0.00 C ATOM 1026 C LEU A 156 -1.245 -3.824 12.218 1.00 0.00 C ATOM 1027 O LEU A 156 -1.170 -3.803 11.006 1.00 0.00 O ATOM 1028 CB LEU A 156 0.011 -2.243 13.713 1.00 0.00 C ATOM 1029 CG LEU A 156 1.383 -1.958 14.348 1.00 0.00 C ATOM 1030 CD1 LEU A 156 1.308 -0.690 15.207 1.00 0.00 C ATOM 1031 CD2 LEU A 156 1.805 -3.141 15.224 1.00 0.00 C ATOM 0 H LEU A 156 1.713 -2.955 12.001 1.00 0.00 H new ATOM 0 HA LEU A 156 0.010 -4.385 13.884 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -0.210 -1.494 12.953 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -0.771 -2.171 14.469 1.00 0.00 H new ATOM 0 HG LEU A 156 2.116 -1.814 13.555 1.00 0.00 H new ATOM 0 HD11 LEU A 156 2.283 -0.495 15.653 1.00 0.00 H new ATOM 0 HD12 LEU A 156 1.019 0.156 14.583 1.00 0.00 H new ATOM 0 HD13 LEU A 156 0.569 -0.828 15.996 1.00 0.00 H new ATOM 0 HD21 LEU A 156 2.777 -2.934 15.671 1.00 0.00 H new ATOM 0 HD22 LEU A 156 1.067 -3.291 16.012 1.00 0.00 H new ATOM 0 HD23 LEU A 156 1.871 -4.041 14.613 1.00 0.00 H new ATOM 1043 N HIS A 157 -2.384 -4.025 12.826 1.00 0.00 N ATOM 1044 CA HIS A 157 -3.642 -4.235 12.038 1.00 0.00 C ATOM 1045 C HIS A 157 -3.628 -5.641 11.432 1.00 0.00 C ATOM 1046 O HIS A 157 -3.206 -5.836 10.311 1.00 0.00 O ATOM 1047 CB HIS A 157 -3.749 -3.202 10.910 1.00 0.00 C ATOM 1048 CG HIS A 157 -3.517 -1.819 11.460 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -2.246 -1.270 11.571 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -4.382 -0.862 11.933 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -2.379 -0.038 12.094 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -3.659 0.258 12.330 1.00 0.00 N ATOM 0 H HIS A 157 -2.501 -4.054 13.839 1.00 0.00 H new ATOM 0 HA HIS A 157 -4.497 -4.120 12.704 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -3.017 -3.422 10.133 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -4.733 -3.258 10.446 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -5.456 -0.964 11.988 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -1.554 0.628 12.297 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -4.030 1.125 12.720 1.00 0.00 H new ATOM 1061 N SER A 158 -4.079 -6.619 12.170 1.00 0.00 N ATOM 1062 CA SER A 158 -4.089 -8.019 11.647 1.00 0.00 C ATOM 1063 C SER A 158 -4.711 -8.050 10.249 1.00 0.00 C ATOM 1064 O SER A 158 -4.621 -9.037 9.541 1.00 0.00 O ATOM 1065 CB SER A 158 -4.910 -8.910 12.587 1.00 0.00 C ATOM 1066 OG SER A 158 -4.794 -8.429 13.919 1.00 0.00 O ATOM 0 H SER A 158 -4.443 -6.510 13.117 1.00 0.00 H new ATOM 0 HA SER A 158 -3.064 -8.387 11.593 1.00 0.00 H new ATOM 0 HB2 SER A 158 -5.956 -8.913 12.280 1.00 0.00 H new ATOM 0 HB3 SER A 158 -4.557 -9.940 12.529 1.00 0.00 H new ATOM 0 HG SER A 158 -5.513 -7.788 14.099 1.00 0.00 H new ATOM 1072 N LYS A 159 -5.349 -6.987 9.847 1.00 0.00 N ATOM 1073 CA LYS A 159 -5.978 -6.970 8.498 1.00 0.00 C ATOM 1074 C LYS A 159 -4.958 -7.428 7.448 1.00 0.00 C ATOM 1075 O LYS A 159 -5.306 -8.063 6.475 1.00 0.00 O ATOM 1076 CB LYS A 159 -6.452 -5.554 8.175 1.00 0.00 C ATOM 1077 CG LYS A 159 -7.332 -5.586 6.925 1.00 0.00 C ATOM 1078 CD LYS A 159 -7.910 -4.192 6.686 1.00 0.00 C ATOM 1079 CE LYS A 159 -8.817 -4.205 5.458 1.00 0.00 C ATOM 1080 NZ LYS A 159 -10.077 -4.940 5.771 1.00 0.00 N ATOM 0 H LYS A 159 -5.462 -6.132 10.392 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.832 -7.648 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -7.011 -5.145 9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -5.595 -4.900 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -6.748 -5.904 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -8.137 -6.311 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -8.474 -3.868 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -7.102 -3.474 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -9.046 -3.184 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -8.305 -4.681 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -10.777 -4.763 5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -9.880 -5.960 5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -10.454 -4.611 6.683 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.703 -7.106 7.638 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.660 -7.517 6.649 1.00 0.00 C ATOM 1096 C PHE A 160 -1.967 -8.800 7.117 1.00 0.00 C ATOM 1097 O PHE A 160 -1.426 -8.867 8.201 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.610 -6.409 6.517 1.00 0.00 C ATOM 1099 CG PHE A 160 -2.299 -5.074 6.378 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -3.004 -4.772 5.207 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -2.244 -4.139 7.423 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -3.653 -3.538 5.076 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -2.891 -2.906 7.291 1.00 0.00 C ATOM 1104 CZ PHE A 160 -3.597 -2.605 6.119 1.00 0.00 C ATOM 0 H PHE A 160 -3.355 -6.575 8.437 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.141 -7.692 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -0.959 -6.405 7.391 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -0.977 -6.595 5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -3.047 -5.492 4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -1.703 -4.371 8.328 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -4.196 -3.306 4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.846 -2.185 8.094 1.00 0.00 H new ATOM 0 HZ PHE A 160 -4.098 -1.653 6.020 1.00 0.00 H new ATOM 1114 N ILE A 161 -1.967 -9.817 6.290 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.298 -11.099 6.663 1.00 0.00 C ATOM 1116 C ILE A 161 -0.046 -11.266 5.793 1.00 0.00 C ATOM 1117 O ILE A 161 -0.005 -10.818 4.666 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.272 -12.271 6.444 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.486 -12.520 4.944 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -3.623 -11.932 7.083 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -3.317 -13.796 4.741 1.00 0.00 C ATOM 0 H ILE A 161 -2.404 -9.812 5.368 1.00 0.00 H new ATOM 0 HA ILE A 161 -1.008 -11.086 7.714 1.00 0.00 H new ATOM 0 HB ILE A 161 -1.848 -13.166 6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -2.995 -11.668 4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.524 -12.618 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.316 -12.760 6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.488 -11.764 8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.027 -11.031 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -3.466 -13.968 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -2.791 -14.646 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.285 -13.681 5.228 1.00 0.00 H new ATOM 1133 N LYS A 162 0.983 -11.885 6.308 1.00 0.00 N ATOM 1134 CA LYS A 162 2.228 -12.051 5.499 1.00 0.00 C ATOM 1135 C LYS A 162 2.072 -13.238 4.540 1.00 0.00 C ATOM 1136 O LYS A 162 1.456 -14.229 4.866 1.00 0.00 O ATOM 1137 CB LYS A 162 3.417 -12.296 6.436 1.00 0.00 C ATOM 1138 CG LYS A 162 4.734 -12.217 5.648 1.00 0.00 C ATOM 1139 CD LYS A 162 4.924 -10.802 5.076 1.00 0.00 C ATOM 1140 CE LYS A 162 6.417 -10.463 5.013 1.00 0.00 C ATOM 1141 NZ LYS A 162 7.171 -11.635 4.489 1.00 0.00 N ATOM 0 H LYS A 162 1.017 -12.281 7.247 1.00 0.00 H new ATOM 0 HA LYS A 162 2.404 -11.145 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 162 3.418 -11.556 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 162 3.324 -13.275 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 162 5.571 -12.470 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.727 -12.947 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.486 -10.741 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.403 -10.075 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 162 6.577 -9.597 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.782 -10.196 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 7.967 -11.304 3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 7.534 -12.198 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 6.539 -12.223 3.908 1.00 0.00 H new ATOM 1155 N VAL A 163 2.625 -13.137 3.356 1.00 0.00 N ATOM 1156 CA VAL A 163 2.514 -14.254 2.362 1.00 0.00 C ATOM 1157 C VAL A 163 3.887 -14.907 2.178 1.00 0.00 C ATOM 1158 O VAL A 163 4.833 -14.259 1.779 1.00 0.00 O ATOM 1159 CB VAL A 163 2.063 -13.687 1.015 1.00 0.00 C ATOM 1160 CG1 VAL A 163 1.867 -14.829 0.013 1.00 0.00 C ATOM 1161 CG2 VAL A 163 0.747 -12.923 1.184 1.00 0.00 C ATOM 0 H VAL A 163 3.151 -12.325 3.032 1.00 0.00 H new ATOM 0 HA VAL A 163 1.794 -14.989 2.722 1.00 0.00 H new ATOM 0 HB VAL A 163 2.828 -13.005 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 163 1.546 -14.421 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 163 2.808 -15.364 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.108 -15.516 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.433 -12.522 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.020 -13.598 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.890 -12.104 1.888 1.00 0.00 H new ATOM 1171 N HIS A 164 4.018 -16.180 2.450 1.00 0.00 N ATOM 1172 CA HIS A 164 5.350 -16.832 2.266 1.00 0.00 C ATOM 1173 C HIS A 164 5.584 -17.156 0.792 1.00 0.00 C ATOM 1174 O HIS A 164 5.120 -18.160 0.290 1.00 0.00 O ATOM 1175 CB HIS A 164 5.429 -18.133 3.066 1.00 0.00 C ATOM 1176 CG HIS A 164 6.801 -18.721 2.874 1.00 0.00 C ATOM 1177 ND1 HIS A 164 7.850 -17.969 2.369 1.00 0.00 N ATOM 1178 CD2 HIS A 164 7.312 -19.977 3.099 1.00 0.00 C ATOM 1179 CE1 HIS A 164 8.930 -18.766 2.305 1.00 0.00 C ATOM 1180 NE2 HIS A 164 8.656 -19.999 2.739 1.00 0.00 N ATOM 0 H HIS A 164 3.272 -16.789 2.787 1.00 0.00 H new ATOM 0 HA HIS A 164 6.111 -16.137 2.620 1.00 0.00 H new ATOM 0 HB2 HIS A 164 5.242 -17.941 4.123 1.00 0.00 H new ATOM 0 HB3 HIS A 164 4.665 -18.833 2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 164 6.757 -20.816 3.493 1.00 0.00 H new ATOM 0 HE1 HIS A 164 9.899 -18.449 1.947 1.00 0.00 H new ATOM 0 HE2 HIS A 164 9.297 -20.790 2.795 1.00 0.00 H new ATOM 1189 N ASN A 165 6.320 -16.331 0.098 1.00 0.00 N ATOM 1190 CA ASN A 165 6.603 -16.623 -1.332 1.00 0.00 C ATOM 1191 C ASN A 165 7.583 -17.797 -1.413 1.00 0.00 C ATOM 1192 O ASN A 165 8.697 -17.715 -0.932 1.00 0.00 O ATOM 1193 CB ASN A 165 7.213 -15.386 -1.993 1.00 0.00 C ATOM 1194 CG ASN A 165 7.445 -15.662 -3.478 1.00 0.00 C ATOM 1195 OD1 ASN A 165 7.697 -16.784 -3.866 1.00 0.00 O ATOM 1196 ND2 ASN A 165 7.361 -14.680 -4.331 1.00 0.00 N ATOM 0 H ASN A 165 6.735 -15.472 0.459 1.00 0.00 H new ATOM 0 HA ASN A 165 5.680 -16.883 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 165 6.548 -14.531 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 165 8.155 -15.129 -1.509 1.00 0.00 H new ATOM 0 HD21 ASN A 165 7.507 -14.854 -5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 165 7.149 -13.737 -4.004 1.00 0.00 H new ATOM 1203 N GLU A 166 7.189 -18.889 -2.011 1.00 0.00 N ATOM 1204 CA GLU A 166 8.116 -20.053 -2.107 1.00 0.00 C ATOM 1205 C GLU A 166 9.312 -19.666 -2.975 1.00 0.00 C ATOM 1206 O GLU A 166 10.441 -20.003 -2.681 1.00 0.00 O ATOM 1207 CB GLU A 166 7.386 -21.244 -2.736 1.00 0.00 C ATOM 1208 CG GLU A 166 6.229 -21.673 -1.826 1.00 0.00 C ATOM 1209 CD GLU A 166 5.501 -22.863 -2.451 1.00 0.00 C ATOM 1210 OE1 GLU A 166 4.984 -22.709 -3.545 1.00 0.00 O ATOM 1211 OE2 GLU A 166 5.470 -23.906 -1.822 1.00 0.00 O ATOM 0 H GLU A 166 6.271 -19.025 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 166 8.459 -20.332 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.007 -20.973 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 166 8.078 -22.074 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 166 6.609 -21.942 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 166 5.537 -20.843 -1.685 1.00 0.00 H new ATOM 1218 N ALA A 167 9.074 -18.942 -4.035 1.00 0.00 N ATOM 1219 CA ALA A 167 10.187 -18.508 -4.912 1.00 0.00 C ATOM 1220 C ALA A 167 11.077 -17.552 -4.120 1.00 0.00 C ATOM 1221 O ALA A 167 11.022 -16.348 -4.286 1.00 0.00 O ATOM 1222 CB ALA A 167 9.623 -17.793 -6.142 1.00 0.00 C ATOM 0 H ALA A 167 8.148 -18.633 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 167 10.766 -19.371 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 167 10.443 -17.475 -6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 167 8.973 -18.473 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 167 9.051 -16.921 -5.825 1.00 0.00 H new ATOM 1271 N SER A 171 10.553 -11.351 -3.381 1.00 0.00 N ATOM 1272 CA SER A 171 10.232 -11.054 -1.954 1.00 0.00 C ATOM 1273 C SER A 171 8.827 -11.566 -1.606 1.00 0.00 C ATOM 1274 O SER A 171 8.063 -11.955 -2.467 1.00 0.00 O ATOM 1275 CB SER A 171 10.295 -9.545 -1.717 1.00 0.00 C ATOM 1276 OG SER A 171 9.275 -8.905 -2.474 1.00 0.00 O ATOM 0 HA SER A 171 10.961 -11.557 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 171 10.168 -9.327 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 171 11.273 -9.161 -2.006 1.00 0.00 H new ATOM 0 HG SER A 171 9.119 -9.406 -3.302 1.00 0.00 H new ATOM 1282 N SER A 172 8.495 -11.571 -0.341 1.00 0.00 N ATOM 1283 CA SER A 172 7.154 -12.058 0.091 1.00 0.00 C ATOM 1284 C SER A 172 6.046 -11.136 -0.421 1.00 0.00 C ATOM 1285 O SER A 172 6.261 -9.972 -0.700 1.00 0.00 O ATOM 1286 CB SER A 172 7.098 -12.084 1.612 1.00 0.00 C ATOM 1287 OG SER A 172 8.071 -12.994 2.107 1.00 0.00 O ATOM 0 H SER A 172 9.101 -11.256 0.416 1.00 0.00 H new ATOM 0 HA SER A 172 7.002 -13.057 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 172 7.282 -11.086 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.104 -12.382 1.945 1.00 0.00 H new ATOM 0 HG SER A 172 7.652 -13.602 2.752 1.00 0.00 H new ATOM 1293 N TRP A 173 4.853 -11.658 -0.527 1.00 0.00 N ATOM 1294 CA TRP A 173 3.697 -10.843 -0.993 1.00 0.00 C ATOM 1295 C TRP A 173 2.883 -10.376 0.222 1.00 0.00 C ATOM 1296 O TRP A 173 3.057 -10.871 1.318 1.00 0.00 O ATOM 1297 CB TRP A 173 2.800 -11.697 -1.891 1.00 0.00 C ATOM 1298 CG TRP A 173 3.622 -12.396 -2.928 1.00 0.00 C ATOM 1299 CD1 TRP A 173 4.238 -13.591 -2.778 1.00 0.00 C ATOM 1300 CD2 TRP A 173 3.909 -11.954 -4.273 1.00 0.00 C ATOM 1301 NE1 TRP A 173 4.882 -13.910 -3.962 1.00 0.00 N ATOM 1302 CE2 TRP A 173 4.709 -12.925 -4.917 1.00 0.00 C ATOM 1303 CE3 TRP A 173 3.550 -10.811 -4.980 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 5.138 -12.758 -6.235 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 3.974 -10.628 -6.307 1.00 0.00 C ATOM 1306 CH2 TRP A 173 4.768 -11.602 -6.935 1.00 0.00 C ATOM 0 H TRP A 173 4.629 -12.628 -0.307 1.00 0.00 H new ATOM 0 HA TRP A 173 4.063 -9.981 -1.550 1.00 0.00 H new ATOM 0 HB2 TRP A 173 2.262 -12.429 -1.289 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.051 -11.068 -2.373 1.00 0.00 H new ATOM 0 HD1 TRP A 173 4.229 -14.196 -1.883 1.00 0.00 H new ATOM 0 HE1 TRP A 173 5.417 -14.765 -4.111 1.00 0.00 H new ATOM 0 HE3 TRP A 173 2.940 -10.057 -4.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 5.749 -13.512 -6.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 3.689 -9.736 -6.846 1.00 0.00 H new ATOM 0 HH2 TRP A 173 5.093 -11.460 -7.955 1.00 0.00 H new ATOM 1317 N TRP A 174 1.986 -9.442 0.036 1.00 0.00 N ATOM 1318 CA TRP A 174 1.145 -8.964 1.174 1.00 0.00 C ATOM 1319 C TRP A 174 -0.334 -9.194 0.829 1.00 0.00 C ATOM 1320 O TRP A 174 -0.767 -8.945 -0.279 1.00 0.00 O ATOM 1321 CB TRP A 174 1.412 -7.476 1.414 1.00 0.00 C ATOM 1322 CG TRP A 174 2.666 -7.326 2.212 1.00 0.00 C ATOM 1323 CD1 TRP A 174 3.904 -7.154 1.694 1.00 0.00 C ATOM 1324 CD2 TRP A 174 2.825 -7.343 3.659 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.813 -7.057 2.731 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.196 -7.168 3.962 1.00 0.00 C ATOM 1327 CE3 TRP A 174 1.920 -7.488 4.729 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.655 -7.138 5.279 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.380 -7.459 6.057 1.00 0.00 C ATOM 1330 CH2 TRP A 174 3.744 -7.284 6.330 1.00 0.00 C ATOM 0 H TRP A 174 1.799 -8.988 -0.858 1.00 0.00 H new ATOM 0 HA TRP A 174 1.392 -9.514 2.082 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.507 -6.953 0.462 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.573 -7.024 1.944 1.00 0.00 H new ATOM 0 HD1 TRP A 174 4.143 -7.101 0.642 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.816 -6.920 2.603 1.00 0.00 H new ATOM 0 HE3 TRP A 174 0.867 -7.622 4.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.706 -7.003 5.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 1.679 -7.572 6.871 1.00 0.00 H new ATOM 0 HH2 TRP A 174 4.091 -7.262 7.352 1.00 0.00 H new ATOM 1341 N MET A 175 -1.110 -9.694 1.762 1.00 0.00 N ATOM 1342 CA MET A 175 -2.555 -9.972 1.472 1.00 0.00 C ATOM 1343 C MET A 175 -3.441 -9.530 2.640 1.00 0.00 C ATOM 1344 O MET A 175 -3.027 -9.508 3.782 1.00 0.00 O ATOM 1345 CB MET A 175 -2.740 -11.483 1.277 1.00 0.00 C ATOM 1346 CG MET A 175 -2.460 -11.859 -0.180 1.00 0.00 C ATOM 1347 SD MET A 175 -2.332 -13.661 -0.331 1.00 0.00 S ATOM 1348 CE MET A 175 -4.090 -14.062 -0.149 1.00 0.00 C ATOM 0 H MET A 175 -0.807 -9.921 2.709 1.00 0.00 H new ATOM 0 HA MET A 175 -2.841 -9.420 0.576 1.00 0.00 H new ATOM 0 HB2 MET A 175 -2.067 -12.029 1.938 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.756 -11.772 1.547 1.00 0.00 H new ATOM 0 HG2 MET A 175 -3.258 -11.486 -0.822 1.00 0.00 H new ATOM 0 HG3 MET A 175 -1.535 -11.389 -0.516 1.00 0.00 H new ATOM 0 HE1 MET A 175 -4.259 -15.099 -0.440 1.00 0.00 H new ATOM 0 HE2 MET A 175 -4.389 -13.924 0.890 1.00 0.00 H new ATOM 0 HE3 MET A 175 -4.681 -13.405 -0.787 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.678 -9.217 2.355 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.621 -8.826 3.433 1.00 0.00 C ATOM 1360 C LEU A 176 -6.136 -10.109 4.095 1.00 0.00 C ATOM 1361 O LEU A 176 -5.827 -11.203 3.665 1.00 0.00 O ATOM 1362 CB LEU A 176 -6.784 -8.015 2.845 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.237 -6.844 2.015 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.377 -5.884 1.664 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.172 -6.090 2.820 1.00 0.00 C ATOM 0 H LEU A 176 -5.074 -9.217 1.415 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.120 -8.201 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.406 -8.656 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.419 -7.638 3.647 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.792 -7.234 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -6.986 -5.054 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -8.134 -6.414 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -7.824 -5.499 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -4.787 -5.260 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -5.615 -5.705 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.355 -6.768 3.068 1.00 0.00 H new ATOM 1377 N ASN A 177 -6.896 -9.996 5.143 1.00 0.00 N ATOM 1378 CA ASN A 177 -7.395 -11.221 5.834 1.00 0.00 C ATOM 1379 C ASN A 177 -7.998 -12.208 4.823 1.00 0.00 C ATOM 1380 O ASN A 177 -8.551 -11.816 3.814 1.00 0.00 O ATOM 1381 CB ASN A 177 -8.451 -10.814 6.861 1.00 0.00 C ATOM 1382 CG ASN A 177 -7.783 -9.959 7.934 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -6.493 -9.757 7.867 1.00 0.00 O flip ATOM 1384 ND2 ASN A 177 -8.432 -9.471 8.836 1.00 0.00 N flip ATOM 0 H ASN A 177 -7.195 -9.112 5.554 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.562 -11.716 6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -9.253 -10.256 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -8.903 -11.699 7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -9.438 -9.631 8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -7.971 -8.901 9.545 1.00 0.00 H new