USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 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 154 LYS NZ :NH3+ -137:sc= 1.36 (180deg=1.01) USER MOD Set 1.2: A 158 CYS SG : rot -54:sc= -5.9! USER MOD Set 2.1: A 143 CYS SG : rot -65:sc= -0.47 USER MOD Set 2.2: A 144 SER OG : rot 30:sc= 0.153 USER MOD Set 2.3: A 148 MET CE :methyl 168:sc= -4.72! (180deg=-5.2!) USER MOD Set 3.1: A 128 SER OG : rot -32:sc= 0.246 USER MOD Set 3.2: A 136 CYS SG : rot 160:sc= -0.725 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -2.09 K(o=-2.1,f=-5.3!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -85:sc= 1.23 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 130 CYS SG : rot -35:sc= -7.58! USER MOD Single : A 133 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 134 GLN : amide:sc= -3.08! K(o=-3.1!,f=-0.19) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 145 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl -161:sc=-0.00719 (180deg=-0.263) USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 LYS NZ :NH3+ 166:sc= -0.0356 (180deg=-0.249) USER MOD Single : A 166 ASN : amide:sc= -7.98! C(o=-8!,f=-5!) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0.282 (180deg=0.282) USER MOD Single : A 172 LYS NZ :NH3+ -164:sc= -0.0232 (180deg=-0.25) USER MOD Single : A 177 LYS NZ :NH3+ -114:sc= 0.686 (180deg=-0.138) USER MOD Single : A 180 ASN : amide:sc= -2.26! C(o=-2.3!,f=-8.1!) USER MOD Single : A 181 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.047) USER MOD Single : A 183 SER OG : rot -93:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 100 -12.272 10.834 -0.038 1.00 0.00 N ATOM 87 CA LEU A 100 -10.875 10.544 0.169 1.00 0.00 C ATOM 88 C LEU A 100 -10.653 10.292 1.659 1.00 0.00 C ATOM 89 O LEU A 100 -9.766 9.539 2.062 1.00 0.00 O ATOM 90 CB LEU A 100 -10.052 11.767 -0.287 1.00 0.00 C ATOM 91 CG LEU A 100 -8.702 11.524 -0.953 1.00 0.00 C ATOM 92 CD1 LEU A 100 -7.896 10.518 -0.178 1.00 0.00 C ATOM 93 CD2 LEU A 100 -8.913 11.105 -2.385 1.00 0.00 C ATOM 0 HA LEU A 100 -10.568 9.666 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.666 12.341 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.883 12.398 0.586 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.127 12.450 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.937 10.361 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.727 10.889 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.439 9.574 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.947 10.932 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.501 10.187 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.444 11.892 -2.920 1.00 0.00 H new ATOM 104 N GLU A 101 -11.472 10.943 2.472 1.00 0.00 N ATOM 105 CA GLU A 101 -11.478 10.707 3.900 1.00 0.00 C ATOM 106 C GLU A 101 -11.748 9.235 4.185 1.00 0.00 C ATOM 107 O GLU A 101 -11.183 8.652 5.114 1.00 0.00 O ATOM 108 CB GLU A 101 -12.515 11.587 4.577 1.00 0.00 C ATOM 109 CG GLU A 101 -12.125 13.057 4.619 1.00 0.00 C ATOM 110 CD GLU A 101 -13.092 13.905 5.423 1.00 0.00 C ATOM 111 OE1 GLU A 101 -13.127 13.753 6.666 1.00 0.00 O ATOM 112 OE2 GLU A 101 -13.805 14.737 4.824 1.00 0.00 O ATOM 0 H GLU A 101 -12.144 11.643 2.159 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.499 10.963 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.465 11.486 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.674 11.232 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.127 13.150 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.073 13.442 3.601 1.00 0.00 H new ATOM 117 N GLU A 102 -12.598 8.630 3.362 1.00 0.00 N ATOM 118 CA GLU A 102 -12.869 7.208 3.474 1.00 0.00 C ATOM 119 C GLU A 102 -11.671 6.406 2.984 1.00 0.00 C ATOM 120 O GLU A 102 -11.429 5.314 3.466 1.00 0.00 O ATOM 121 CB GLU A 102 -14.112 6.799 2.681 1.00 0.00 C ATOM 122 CG GLU A 102 -15.356 7.624 2.977 1.00 0.00 C ATOM 123 CD GLU A 102 -16.608 6.986 2.422 1.00 0.00 C ATOM 124 OE1 GLU A 102 -16.620 6.629 1.227 1.00 0.00 O ATOM 125 OE2 GLU A 102 -17.592 6.837 3.178 1.00 0.00 O ATOM 0 H GLU A 102 -13.107 9.102 2.615 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.054 6.995 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.888 6.874 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.330 5.751 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.460 7.748 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.239 8.621 2.552 1.00 0.00 H new ATOM 130 N TYR A 103 -10.926 6.960 2.027 1.00 0.00 N ATOM 131 CA TYR A 103 -9.732 6.294 1.487 1.00 0.00 C ATOM 132 C TYR A 103 -8.739 5.954 2.601 1.00 0.00 C ATOM 133 O TYR A 103 -8.203 4.848 2.651 1.00 0.00 O ATOM 134 CB TYR A 103 -9.051 7.173 0.428 1.00 0.00 C ATOM 135 CG TYR A 103 -9.833 7.261 -0.860 1.00 0.00 C ATOM 136 CD1 TYR A 103 -11.064 6.672 -0.950 1.00 0.00 C ATOM 137 CD2 TYR A 103 -9.340 7.903 -1.979 1.00 0.00 C ATOM 138 CE1 TYR A 103 -11.793 6.704 -2.096 1.00 0.00 C ATOM 139 CE2 TYR A 103 -10.071 7.955 -3.146 1.00 0.00 C ATOM 140 CZ TYR A 103 -11.300 7.351 -3.201 1.00 0.00 C ATOM 141 OH TYR A 103 -12.026 7.383 -4.368 1.00 0.00 O ATOM 0 H TYR A 103 -11.125 7.868 1.607 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.056 5.365 1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -8.913 8.176 0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -8.059 6.775 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.468 6.167 -0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -8.368 8.371 -1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.758 6.221 -2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -9.678 8.468 -4.011 1.00 0.00 H new ATOM 0 HH TYR A 103 -11.529 7.884 -5.049 1.00 0.00 H new ATOM 150 N ARG A 104 -8.501 6.911 3.495 1.00 0.00 N ATOM 151 CA ARG A 104 -7.611 6.683 4.641 1.00 0.00 C ATOM 152 C ARG A 104 -8.179 5.628 5.593 1.00 0.00 C ATOM 153 O ARG A 104 -7.489 4.669 5.959 1.00 0.00 O ATOM 154 CB ARG A 104 -7.345 7.977 5.425 1.00 0.00 C ATOM 155 CG ARG A 104 -6.256 8.867 4.836 1.00 0.00 C ATOM 156 CD ARG A 104 -6.794 9.801 3.765 1.00 0.00 C ATOM 157 NE ARG A 104 -7.772 10.739 4.316 1.00 0.00 N ATOM 158 CZ ARG A 104 -7.913 12.007 3.921 1.00 0.00 C ATOM 159 NH1 ARG A 104 -7.096 12.537 3.023 1.00 0.00 N ATOM 160 NH2 ARG A 104 -8.852 12.761 4.472 1.00 0.00 N ATOM 0 H ARG A 104 -8.906 7.846 3.453 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.669 6.322 4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.271 8.549 5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.069 7.716 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.800 9.455 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.470 8.243 4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.970 10.355 3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.256 9.217 2.969 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.390 10.401 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.345 11.975 2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.218 13.507 2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.461 12.372 5.192 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.966 13.730 4.176 1.00 0.00 H new ATOM 171 N LEU A 105 -9.440 5.793 5.994 1.00 0.00 N ATOM 172 CA LEU A 105 -10.055 4.869 6.946 1.00 0.00 C ATOM 173 C LEU A 105 -10.178 3.482 6.324 1.00 0.00 C ATOM 174 O LEU A 105 -10.235 2.479 7.028 1.00 0.00 O ATOM 175 CB LEU A 105 -11.427 5.395 7.424 1.00 0.00 C ATOM 176 CG LEU A 105 -12.612 5.247 6.458 1.00 0.00 C ATOM 177 CD1 LEU A 105 -13.297 3.900 6.628 1.00 0.00 C ATOM 178 CD2 LEU A 105 -13.610 6.373 6.678 1.00 0.00 C ATOM 0 H LEU A 105 -10.049 6.548 5.679 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.413 4.795 7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.681 4.881 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.318 6.452 7.665 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.227 5.303 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -14.131 3.826 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -12.583 3.101 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -13.668 3.807 7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -14.446 6.258 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.978 6.338 7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.122 7.331 6.501 1.00 0.00 H new ATOM 189 N LEU A 106 -10.210 3.457 5.000 1.00 0.00 N ATOM 190 CA LEU A 106 -10.261 2.233 4.218 1.00 0.00 C ATOM 191 C LEU A 106 -8.966 1.443 4.371 1.00 0.00 C ATOM 192 O LEU A 106 -8.982 0.215 4.442 1.00 0.00 O ATOM 193 CB LEU A 106 -10.513 2.594 2.758 1.00 0.00 C ATOM 194 CG LEU A 106 -10.527 1.448 1.762 1.00 0.00 C ATOM 195 CD1 LEU A 106 -11.592 0.469 2.138 1.00 0.00 C ATOM 196 CD2 LEU A 106 -10.743 1.961 0.358 1.00 0.00 C ATOM 0 H LEU A 106 -10.201 4.303 4.430 1.00 0.00 H new ATOM 0 HA LEU A 106 -11.072 1.600 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.471 3.110 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.748 3.305 2.447 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.560 0.946 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.600 -0.353 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.392 0.079 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.562 0.966 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.749 1.123 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.698 2.484 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.938 2.647 0.093 1.00 0.00 H new ATOM 207 N LEU A 107 -7.846 2.158 4.424 1.00 0.00 N ATOM 208 CA LEU A 107 -6.545 1.534 4.660 1.00 0.00 C ATOM 209 C LEU A 107 -6.581 0.820 5.993 1.00 0.00 C ATOM 210 O LEU A 107 -6.121 -0.313 6.127 1.00 0.00 O ATOM 211 CB LEU A 107 -5.416 2.570 4.650 1.00 0.00 C ATOM 212 CG LEU A 107 -4.023 2.005 4.906 1.00 0.00 C ATOM 213 CD1 LEU A 107 -3.778 0.832 4.000 1.00 0.00 C ATOM 214 CD2 LEU A 107 -2.967 3.058 4.671 1.00 0.00 C ATOM 0 H LEU A 107 -7.812 3.171 4.307 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.346 0.824 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.415 3.076 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.630 3.326 5.405 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.966 1.683 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.782 0.431 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.522 0.060 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.852 1.153 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.981 2.633 4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.022 3.404 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.135 3.898 5.345 1.00 0.00 H new ATOM 225 N LYS A 108 -7.166 1.497 6.966 1.00 0.00 N ATOM 226 CA LYS A 108 -7.361 0.933 8.289 1.00 0.00 C ATOM 227 C LYS A 108 -8.366 -0.221 8.228 1.00 0.00 C ATOM 228 O LYS A 108 -8.287 -1.182 8.997 1.00 0.00 O ATOM 229 CB LYS A 108 -7.851 2.022 9.245 1.00 0.00 C ATOM 230 CG LYS A 108 -7.194 3.373 8.998 1.00 0.00 C ATOM 231 CD LYS A 108 -7.512 4.375 10.098 1.00 0.00 C ATOM 232 CE LYS A 108 -6.893 3.968 11.427 1.00 0.00 C ATOM 233 NZ LYS A 108 -7.185 4.955 12.500 1.00 0.00 N ATOM 0 H LYS A 108 -7.518 2.449 6.861 1.00 0.00 H new ATOM 0 HA LYS A 108 -6.412 0.542 8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -8.931 2.126 9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -7.655 1.711 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.114 3.243 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -7.530 3.769 8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.143 5.360 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.593 4.460 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -7.274 2.990 11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.814 3.868 11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.746 4.641 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.800 5.883 12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.214 5.032 12.630 1.00 0.00 H new ATOM 243 N ARG A 109 -9.312 -0.108 7.305 1.00 0.00 N ATOM 244 CA ARG A 109 -10.347 -1.114 7.115 1.00 0.00 C ATOM 245 C ARG A 109 -9.784 -2.438 6.619 1.00 0.00 C ATOM 246 O ARG A 109 -10.013 -3.477 7.237 1.00 0.00 O ATOM 247 CB ARG A 109 -11.383 -0.610 6.128 1.00 0.00 C ATOM 248 CG ARG A 109 -12.391 0.335 6.737 1.00 0.00 C ATOM 249 CD ARG A 109 -13.762 -0.301 6.794 1.00 0.00 C ATOM 250 NE ARG A 109 -14.748 0.570 7.435 1.00 0.00 N ATOM 251 CZ ARG A 109 -16.019 0.676 7.049 1.00 0.00 C ATOM 252 NH1 ARG A 109 -16.484 -0.058 6.044 1.00 0.00 N ATOM 253 NH2 ARG A 109 -16.833 1.510 7.684 1.00 0.00 N ATOM 0 H ARG A 109 -9.383 0.685 6.667 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.805 -1.290 8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.874 -0.105 5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.910 -1.463 5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.073 0.614 7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.436 1.253 6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.093 -0.539 5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -13.702 -1.243 7.340 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.442 1.133 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.866 -0.710 5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.459 0.030 5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.485 2.067 8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.807 1.594 7.392 1.00 0.00 H new ATOM 264 N LEU A 110 -9.040 -2.421 5.519 1.00 0.00 N ATOM 265 CA LEU A 110 -8.546 -3.678 4.965 1.00 0.00 C ATOM 266 C LEU A 110 -7.106 -3.969 5.350 1.00 0.00 C ATOM 267 O LEU A 110 -6.372 -4.576 4.575 1.00 0.00 O ATOM 268 CB LEU A 110 -8.688 -3.752 3.446 1.00 0.00 C ATOM 269 CG LEU A 110 -10.089 -4.078 2.936 1.00 0.00 C ATOM 270 CD1 LEU A 110 -10.966 -2.858 3.040 1.00 0.00 C ATOM 271 CD2 LEU A 110 -10.033 -4.585 1.508 1.00 0.00 C ATOM 0 H LEU A 110 -8.772 -1.581 5.006 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.182 -4.443 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.378 -2.797 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.998 -4.507 3.070 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.516 -4.868 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -11.965 -3.096 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -11.026 -2.541 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.542 -2.053 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -11.042 -4.812 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.594 -3.820 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.424 -5.488 1.466 1.00 0.00 H new ATOM 282 N GLN A 111 -6.707 -3.560 6.545 1.00 0.00 N ATOM 283 CA GLN A 111 -5.383 -3.901 7.061 1.00 0.00 C ATOM 284 C GLN A 111 -5.114 -5.417 7.022 1.00 0.00 C ATOM 285 O GLN A 111 -4.054 -5.834 6.563 1.00 0.00 O ATOM 286 CB GLN A 111 -5.192 -3.384 8.489 1.00 0.00 C ATOM 287 CG GLN A 111 -5.131 -1.870 8.586 1.00 0.00 C ATOM 288 CD GLN A 111 -4.835 -1.375 9.989 1.00 0.00 C ATOM 289 OE1 GLN A 111 -5.287 -0.303 10.387 1.00 0.00 O ATOM 290 NE2 GLN A 111 -4.051 -2.133 10.742 1.00 0.00 N ATOM 0 H GLN A 111 -7.275 -2.994 7.175 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.664 -3.411 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -6.011 -3.746 9.110 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.273 -3.803 8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -4.363 -1.499 7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -6.081 -1.452 8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.694 -3.017 10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -3.804 -1.833 11.685 1.00 0.00 H new ATOM 297 N PRO A 112 -6.053 -6.277 7.490 1.00 0.00 N ATOM 298 CA PRO A 112 -5.818 -7.722 7.554 1.00 0.00 C ATOM 299 C PRO A 112 -5.706 -8.360 6.171 1.00 0.00 C ATOM 300 O PRO A 112 -4.839 -9.201 5.921 1.00 0.00 O ATOM 301 CB PRO A 112 -7.045 -8.239 8.301 1.00 0.00 C ATOM 302 CG PRO A 112 -8.098 -7.265 7.958 1.00 0.00 C ATOM 303 CD PRO A 112 -7.409 -5.946 7.971 1.00 0.00 C ATOM 0 HA PRO A 112 -4.874 -7.965 8.042 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -7.312 -9.247 7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -6.872 -8.280 9.376 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -8.530 -7.477 6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -8.914 -7.293 8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.904 -5.225 7.320 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.388 -5.511 8.970 1.00 0.00 H new ATOM 308 N GLU A 113 -6.576 -7.943 5.265 1.00 0.00 N ATOM 309 CA GLU A 113 -6.569 -8.476 3.916 1.00 0.00 C ATOM 310 C GLU A 113 -5.370 -7.945 3.164 1.00 0.00 C ATOM 311 O GLU A 113 -4.851 -8.593 2.259 1.00 0.00 O ATOM 312 CB GLU A 113 -7.861 -8.138 3.195 1.00 0.00 C ATOM 313 CG GLU A 113 -9.072 -8.740 3.875 1.00 0.00 C ATOM 314 CD GLU A 113 -8.960 -10.242 4.054 1.00 0.00 C ATOM 315 OE1 GLU A 113 -8.302 -10.691 5.016 1.00 0.00 O ATOM 316 OE2 GLU A 113 -9.527 -10.986 3.231 1.00 0.00 O ATOM 0 H GLU A 113 -7.293 -7.239 5.440 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.496 -9.562 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.975 -7.055 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.807 -8.499 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.206 -8.272 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.962 -8.514 3.288 1.00 0.00 H new ATOM 321 N PHE A 114 -4.921 -6.770 3.565 1.00 0.00 N ATOM 322 CA PHE A 114 -3.725 -6.194 3.003 1.00 0.00 C ATOM 323 C PHE A 114 -2.517 -6.982 3.464 1.00 0.00 C ATOM 324 O PHE A 114 -1.725 -7.449 2.657 1.00 0.00 O ATOM 325 CB PHE A 114 -3.569 -4.745 3.447 1.00 0.00 C ATOM 326 CG PHE A 114 -2.605 -3.979 2.608 1.00 0.00 C ATOM 327 CD1 PHE A 114 -1.260 -4.136 2.815 1.00 0.00 C ATOM 328 CD2 PHE A 114 -3.038 -3.121 1.612 1.00 0.00 C ATOM 329 CE1 PHE A 114 -0.341 -3.456 2.050 1.00 0.00 C ATOM 330 CE2 PHE A 114 -2.128 -2.433 0.836 1.00 0.00 C ATOM 331 CZ PHE A 114 -0.776 -2.603 1.055 1.00 0.00 C ATOM 0 H PHE A 114 -5.372 -6.199 4.280 1.00 0.00 H new ATOM 0 HA PHE A 114 -3.803 -6.228 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.541 -4.254 3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -3.236 -4.723 4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -0.916 -4.804 3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.096 -2.989 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 114 0.716 -3.589 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.472 -1.764 0.061 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.059 -2.069 0.449 1.00 0.00 H new ATOM 340 N LYS A 115 -2.415 -7.172 4.770 1.00 0.00 N ATOM 341 CA LYS A 115 -1.232 -7.777 5.351 1.00 0.00 C ATOM 342 C LYS A 115 -1.034 -9.205 4.835 1.00 0.00 C ATOM 343 O LYS A 115 0.087 -9.701 4.779 1.00 0.00 O ATOM 344 CB LYS A 115 -1.312 -7.764 6.886 1.00 0.00 C ATOM 345 CG LYS A 115 -2.326 -8.734 7.457 1.00 0.00 C ATOM 346 CD LYS A 115 -2.451 -8.621 8.970 1.00 0.00 C ATOM 347 CE LYS A 115 -1.114 -8.815 9.665 1.00 0.00 C ATOM 348 NZ LYS A 115 -1.268 -9.048 11.125 1.00 0.00 N ATOM 0 H LYS A 115 -3.136 -6.916 5.444 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.369 -7.185 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.329 -8.000 7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.561 -6.756 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.298 -8.549 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.039 -9.752 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.856 -7.643 9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.160 -9.365 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.593 -9.661 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.491 -7.935 9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.331 -9.175 11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.741 -8.230 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.840 -9.902 11.282 1.00 0.00 H new ATOM 358 N THR A 116 -2.124 -9.845 4.429 1.00 0.00 N ATOM 359 CA THR A 116 -2.084 -11.243 4.031 1.00 0.00 C ATOM 360 C THR A 116 -2.010 -11.440 2.516 1.00 0.00 C ATOM 361 O THR A 116 -1.292 -12.316 2.035 1.00 0.00 O ATOM 362 CB THR A 116 -3.301 -11.997 4.594 1.00 0.00 C ATOM 363 OG1 THR A 116 -4.509 -11.304 4.247 1.00 0.00 O ATOM 364 CG2 THR A 116 -3.200 -12.109 6.106 1.00 0.00 C ATOM 0 H THR A 116 -3.047 -9.415 4.367 1.00 0.00 H new ATOM 0 HA THR A 116 -1.164 -11.652 4.450 1.00 0.00 H new ATOM 0 HB THR A 116 -3.319 -12.998 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.685 -10.602 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.068 -12.645 6.490 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.292 -12.651 6.371 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.167 -11.111 6.543 1.00 0.00 H new ATOM 372 N ARG A 117 -2.743 -10.632 1.766 1.00 0.00 N ATOM 373 CA ARG A 117 -2.822 -10.809 0.315 1.00 0.00 C ATOM 374 C ARG A 117 -1.774 -9.976 -0.403 1.00 0.00 C ATOM 375 O ARG A 117 -1.321 -10.330 -1.493 1.00 0.00 O ATOM 376 CB ARG A 117 -4.208 -10.430 -0.209 1.00 0.00 C ATOM 377 CG ARG A 117 -5.343 -11.140 0.501 1.00 0.00 C ATOM 378 CD ARG A 117 -6.688 -10.819 -0.137 1.00 0.00 C ATOM 379 NE ARG A 117 -7.808 -11.338 0.647 1.00 0.00 N ATOM 380 CZ ARG A 117 -8.897 -11.897 0.121 1.00 0.00 C ATOM 381 NH1 ARG A 117 -8.984 -12.087 -1.191 1.00 0.00 N ATOM 382 NH2 ARG A 117 -9.898 -12.261 0.910 1.00 0.00 N ATOM 0 H ARG A 117 -3.290 -9.851 2.130 1.00 0.00 H new ATOM 0 HA ARG A 117 -2.635 -11.864 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.344 -9.353 -0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -4.259 -10.657 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.174 -12.216 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -5.358 -10.846 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -6.790 -9.739 -0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.722 -11.242 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 117 -7.752 -11.267 1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -8.215 -11.805 -1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -9.819 -12.515 -1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -9.833 -12.113 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -10.733 -12.689 0.510 1.00 0.00 H new ATOM 393 N ILE A 118 -1.399 -8.873 0.212 1.00 0.00 N ATOM 394 CA ILE A 118 -0.473 -7.931 -0.396 1.00 0.00 C ATOM 395 C ILE A 118 0.957 -8.401 -0.321 1.00 0.00 C ATOM 396 O ILE A 118 1.493 -8.656 0.757 1.00 0.00 O ATOM 397 CB ILE A 118 -0.561 -6.547 0.259 1.00 0.00 C ATOM 398 CG1 ILE A 118 -1.839 -5.846 -0.130 1.00 0.00 C ATOM 399 CG2 ILE A 118 0.621 -5.701 -0.105 1.00 0.00 C ATOM 400 CD1 ILE A 118 -2.266 -6.072 -1.561 1.00 0.00 C ATOM 0 H ILE A 118 -1.723 -8.603 1.141 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.771 -7.864 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 118 -0.560 -6.695 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.638 -6.181 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -1.716 -4.776 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 118 0.532 -4.726 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.535 -6.189 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.657 -5.572 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.193 -5.532 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.489 -5.710 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.425 -7.137 -1.729 1.00 0.00 H new ATOM 411 N ILE A 119 1.564 -8.518 -1.477 1.00 0.00 N ATOM 412 CA ILE A 119 2.988 -8.584 -1.557 1.00 0.00 C ATOM 413 C ILE A 119 3.532 -7.162 -1.608 1.00 0.00 C ATOM 414 O ILE A 119 3.269 -6.420 -2.549 1.00 0.00 O ATOM 415 CB ILE A 119 3.467 -9.399 -2.775 1.00 0.00 C ATOM 416 CG1 ILE A 119 3.102 -10.871 -2.613 1.00 0.00 C ATOM 417 CG2 ILE A 119 4.961 -9.247 -2.959 1.00 0.00 C ATOM 418 CD1 ILE A 119 3.369 -11.407 -1.230 1.00 0.00 C ATOM 0 H ILE A 119 1.084 -8.569 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 119 3.366 -9.102 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 119 2.966 -9.014 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 119 2.046 -11.003 -2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 119 3.666 -11.459 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 119 5.282 -9.829 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.203 -8.196 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.476 -9.606 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 119 3.086 -12.459 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 119 4.430 -11.306 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.784 -10.844 -0.502 1.00 0.00 H new ATOM 429 N PRO A 120 4.251 -6.752 -0.564 1.00 0.00 N ATOM 430 CA PRO A 120 4.815 -5.401 -0.446 1.00 0.00 C ATOM 431 C PRO A 120 5.890 -5.107 -1.483 1.00 0.00 C ATOM 432 O PRO A 120 6.422 -4.011 -1.507 1.00 0.00 O ATOM 433 CB PRO A 120 5.414 -5.371 0.955 1.00 0.00 C ATOM 434 CG PRO A 120 5.591 -6.794 1.343 1.00 0.00 C ATOM 435 CD PRO A 120 4.546 -7.579 0.609 1.00 0.00 C ATOM 0 HA PRO A 120 4.049 -4.644 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 120 6.366 -4.841 0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 120 4.755 -4.853 1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 120 6.590 -7.144 1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 120 5.481 -6.917 2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 120 4.913 -8.564 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 120 3.658 -7.736 1.222 1.00 0.00 H new ATOM 440 N THR A 121 6.245 -6.094 -2.299 1.00 0.00 N ATOM 441 CA THR A 121 7.094 -5.837 -3.451 1.00 0.00 C ATOM 442 C THR A 121 6.224 -5.642 -4.696 1.00 0.00 C ATOM 443 O THR A 121 6.682 -5.144 -5.724 1.00 0.00 O ATOM 444 CB THR A 121 8.123 -6.961 -3.712 1.00 0.00 C ATOM 445 OG1 THR A 121 7.629 -7.881 -4.696 1.00 0.00 O ATOM 446 CG2 THR A 121 8.437 -7.737 -2.448 1.00 0.00 C ATOM 0 H THR A 121 5.961 -7.067 -2.185 1.00 0.00 H new ATOM 0 HA THR A 121 7.661 -4.932 -3.230 1.00 0.00 H new ATOM 0 HB THR A 121 9.032 -6.478 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.294 -8.584 -4.849 1.00 0.00 H new ATOM 0 HG21 THR A 121 9.164 -8.518 -2.672 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.850 -7.061 -1.699 1.00 0.00 H new ATOM 0 HG23 THR A 121 7.524 -8.191 -2.063 1.00 0.00 H new ATOM 454 N ASP A 122 4.961 -6.036 -4.585 1.00 0.00 N ATOM 455 CA ASP A 122 4.021 -5.954 -5.684 1.00 0.00 C ATOM 456 C ASP A 122 3.399 -4.562 -5.782 1.00 0.00 C ATOM 457 O ASP A 122 3.601 -3.853 -6.767 1.00 0.00 O ATOM 458 CB ASP A 122 2.930 -6.998 -5.478 1.00 0.00 C ATOM 459 CG ASP A 122 3.076 -8.208 -6.381 1.00 0.00 C ATOM 460 OD1 ASP A 122 4.146 -8.852 -6.355 1.00 0.00 O ATOM 461 OD2 ASP A 122 2.125 -8.524 -7.120 1.00 0.00 O ATOM 0 H ASP A 122 4.564 -6.421 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 122 4.553 -6.144 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.943 -7.326 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.958 -6.537 -5.655 1.00 0.00 H new ATOM 465 N ILE A 123 2.652 -4.166 -4.747 1.00 0.00 N ATOM 466 CA ILE A 123 1.941 -2.883 -4.771 1.00 0.00 C ATOM 467 C ILE A 123 2.900 -1.703 -4.619 1.00 0.00 C ATOM 468 O ILE A 123 2.602 -0.591 -5.043 1.00 0.00 O ATOM 469 CB ILE A 123 0.817 -2.765 -3.697 1.00 0.00 C ATOM 470 CG1 ILE A 123 1.380 -2.453 -2.313 1.00 0.00 C ATOM 471 CG2 ILE A 123 -0.027 -4.029 -3.637 1.00 0.00 C ATOM 472 CD1 ILE A 123 2.293 -3.524 -1.798 1.00 0.00 C ATOM 0 H ILE A 123 2.524 -4.707 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 123 1.465 -2.851 -5.751 1.00 0.00 H new ATOM 0 HB ILE A 123 0.183 -1.933 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.922 -1.508 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 123 0.555 -2.318 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.801 -3.914 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.492 -4.202 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.607 -4.878 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.661 -3.245 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 123 1.747 -4.465 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.136 -3.642 -2.479 1.00 0.00 H new ATOM 483 N ILE A 124 4.058 -1.976 -4.037 1.00 0.00 N ATOM 484 CA ILE A 124 5.040 -0.957 -3.696 1.00 0.00 C ATOM 485 C ILE A 124 5.477 -0.144 -4.912 1.00 0.00 C ATOM 486 O ILE A 124 5.726 1.042 -4.796 1.00 0.00 O ATOM 487 CB ILE A 124 6.281 -1.601 -3.040 1.00 0.00 C ATOM 488 CG1 ILE A 124 7.276 -0.551 -2.553 1.00 0.00 C ATOM 489 CG2 ILE A 124 6.953 -2.563 -3.993 1.00 0.00 C ATOM 490 CD1 ILE A 124 6.927 0.030 -1.206 1.00 0.00 C ATOM 0 H ILE A 124 4.346 -2.922 -3.785 1.00 0.00 H new ATOM 0 HA ILE A 124 4.558 -0.278 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 124 5.934 -2.156 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 124 8.268 -0.999 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 124 7.329 0.255 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 124 7.825 -3.005 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.252 -3.351 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 124 7.267 -2.028 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 124 7.677 0.769 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.949 0.508 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 124 6.903 -0.766 -0.462 1.00 0.00 H new ATOM 501 N SER A 125 5.570 -0.784 -6.067 1.00 0.00 N ATOM 502 CA SER A 125 6.016 -0.111 -7.280 1.00 0.00 C ATOM 503 C SER A 125 5.007 0.929 -7.722 1.00 0.00 C ATOM 504 O SER A 125 5.359 2.079 -7.990 1.00 0.00 O ATOM 505 CB SER A 125 6.231 -1.127 -8.398 1.00 0.00 C ATOM 506 OG SER A 125 6.864 -0.536 -9.520 1.00 0.00 O ATOM 0 H SER A 125 5.342 -1.770 -6.192 1.00 0.00 H new ATOM 0 HA SER A 125 6.959 0.390 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.839 -1.953 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.271 -1.547 -8.699 1.00 0.00 H new ATOM 0 HG SER A 125 6.989 -1.212 -10.218 1.00 0.00 H new ATOM 511 N ASP A 126 3.751 0.522 -7.786 1.00 0.00 N ATOM 512 CA ASP A 126 2.702 1.403 -8.251 1.00 0.00 C ATOM 513 C ASP A 126 2.475 2.478 -7.204 1.00 0.00 C ATOM 514 O ASP A 126 2.323 3.653 -7.517 1.00 0.00 O ATOM 515 CB ASP A 126 1.426 0.601 -8.512 1.00 0.00 C ATOM 516 CG ASP A 126 0.498 1.257 -9.521 1.00 0.00 C ATOM 517 OD1 ASP A 126 0.798 1.190 -10.737 1.00 0.00 O ATOM 518 OD2 ASP A 126 -0.543 1.806 -9.119 1.00 0.00 O ATOM 0 H ASP A 126 3.436 -0.412 -7.522 1.00 0.00 H new ATOM 0 HA ASP A 126 2.991 1.877 -9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.697 -0.392 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.892 0.466 -7.572 1.00 0.00 H new ATOM 522 N LEU A 127 2.514 2.047 -5.951 1.00 0.00 N ATOM 523 CA LEU A 127 2.463 2.944 -4.809 1.00 0.00 C ATOM 524 C LEU A 127 3.629 3.931 -4.821 1.00 0.00 C ATOM 525 O LEU A 127 3.453 5.106 -4.526 1.00 0.00 O ATOM 526 CB LEU A 127 2.500 2.129 -3.516 1.00 0.00 C ATOM 527 CG LEU A 127 3.259 2.791 -2.363 1.00 0.00 C ATOM 528 CD1 LEU A 127 2.457 3.921 -1.744 1.00 0.00 C ATOM 529 CD2 LEU A 127 3.656 1.765 -1.326 1.00 0.00 C ATOM 0 H LEU A 127 2.582 1.061 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 127 1.535 3.513 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.476 1.936 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 127 2.957 1.162 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 127 4.170 3.229 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 127 3.027 4.368 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 127 2.251 4.678 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 127 1.516 3.530 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 127 4.194 2.256 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.762 1.284 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.299 1.014 -1.785 1.00 0.00 H new ATOM 540 N SER A 128 4.820 3.434 -5.130 1.00 0.00 N ATOM 541 CA SER A 128 6.042 4.248 -5.130 1.00 0.00 C ATOM 542 C SER A 128 5.915 5.517 -5.976 1.00 0.00 C ATOM 543 O SER A 128 6.768 6.400 -5.891 1.00 0.00 O ATOM 544 CB SER A 128 7.241 3.428 -5.615 1.00 0.00 C ATOM 545 OG SER A 128 8.459 4.131 -5.414 1.00 0.00 O ATOM 0 H SER A 128 4.972 2.459 -5.388 1.00 0.00 H new ATOM 0 HA SER A 128 6.199 4.558 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.274 2.478 -5.082 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.122 3.196 -6.673 1.00 0.00 H new ATOM 0 HG SER A 128 8.300 5.094 -5.506 1.00 0.00 H new ATOM 550 N GLU A 129 4.881 5.613 -6.804 1.00 0.00 N ATOM 551 CA GLU A 129 4.634 6.861 -7.518 1.00 0.00 C ATOM 552 C GLU A 129 4.138 7.961 -6.571 1.00 0.00 C ATOM 553 O GLU A 129 4.337 9.147 -6.833 1.00 0.00 O ATOM 554 CB GLU A 129 3.661 6.667 -8.673 1.00 0.00 C ATOM 555 CG GLU A 129 4.249 5.875 -9.829 1.00 0.00 C ATOM 556 CD GLU A 129 3.506 6.104 -11.127 1.00 0.00 C ATOM 557 OE1 GLU A 129 3.804 7.105 -11.817 1.00 0.00 O ATOM 558 OE2 GLU A 129 2.620 5.293 -11.468 1.00 0.00 O ATOM 0 H GLU A 129 4.216 4.864 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 129 5.588 7.181 -7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.771 6.155 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 129 3.340 7.643 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 129 5.295 6.152 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 129 4.228 4.813 -9.585 1.00 0.00 H new ATOM 563 N CYS A 130 3.492 7.573 -5.476 1.00 0.00 N ATOM 564 CA CYS A 130 3.085 8.520 -4.452 1.00 0.00 C ATOM 565 C CYS A 130 4.009 8.431 -3.243 1.00 0.00 C ATOM 566 O CYS A 130 4.200 9.410 -2.523 1.00 0.00 O ATOM 567 CB CYS A 130 1.642 8.254 -4.024 1.00 0.00 C ATOM 568 SG CYS A 130 1.351 6.606 -3.353 1.00 0.00 S ATOM 0 H CYS A 130 3.240 6.605 -5.278 1.00 0.00 H new ATOM 0 HA CYS A 130 3.151 9.524 -4.870 1.00 0.00 H new ATOM 0 HB2 CYS A 130 1.357 8.993 -3.275 1.00 0.00 H new ATOM 0 HB3 CYS A 130 0.988 8.403 -4.884 1.00 0.00 H new ATOM 0 HG CYS A 130 2.096 5.744 -3.980 1.00 0.00 H new ATOM 573 N LEU A 131 4.580 7.252 -3.028 1.00 0.00 N ATOM 574 CA LEU A 131 5.449 7.018 -1.883 1.00 0.00 C ATOM 575 C LEU A 131 6.881 7.414 -2.162 1.00 0.00 C ATOM 576 O LEU A 131 7.359 7.367 -3.294 1.00 0.00 O ATOM 577 CB LEU A 131 5.408 5.558 -1.467 1.00 0.00 C ATOM 578 CG LEU A 131 6.066 5.264 -0.122 1.00 0.00 C ATOM 579 CD1 LEU A 131 5.320 5.939 1.005 1.00 0.00 C ATOM 580 CD2 LEU A 131 6.153 3.770 0.114 1.00 0.00 C ATOM 0 H LEU A 131 4.456 6.441 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 131 5.073 7.644 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.368 5.234 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 131 5.899 4.961 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 131 7.078 5.668 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.810 5.713 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 131 5.318 7.017 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 131 4.293 5.574 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.625 3.581 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.150 3.342 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 131 6.746 3.311 -0.677 1.00 0.00 H new ATOM 591 N ILE A 132 7.552 7.795 -1.097 1.00 0.00 N ATOM 592 CA ILE A 132 8.935 8.190 -1.157 1.00 0.00 C ATOM 593 C ILE A 132 9.860 7.008 -0.864 1.00 0.00 C ATOM 594 O ILE A 132 9.549 6.125 -0.057 1.00 0.00 O ATOM 595 CB ILE A 132 9.203 9.370 -0.198 1.00 0.00 C ATOM 596 CG1 ILE A 132 8.716 9.055 1.214 1.00 0.00 C ATOM 597 CG2 ILE A 132 8.512 10.618 -0.717 1.00 0.00 C ATOM 598 CD1 ILE A 132 9.765 8.440 2.108 1.00 0.00 C ATOM 0 H ILE A 132 7.148 7.838 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 132 9.151 8.526 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 132 10.279 9.539 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 132 8.355 9.974 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 132 7.866 8.376 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 132 8.703 11.449 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 132 8.897 10.862 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.438 10.440 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 132 9.337 8.248 3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 132 10.110 7.502 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 132 10.607 9.126 2.206 1.00 0.00 H new ATOM 609 N ASN A 133 10.985 7.015 -1.570 1.00 0.00 N ATOM 610 CA ASN A 133 11.955 5.913 -1.588 1.00 0.00 C ATOM 611 C ASN A 133 12.403 5.468 -0.212 1.00 0.00 C ATOM 612 O ASN A 133 12.619 4.288 -0.006 1.00 0.00 O ATOM 613 CB ASN A 133 13.174 6.301 -2.414 1.00 0.00 C ATOM 614 CG ASN A 133 12.976 6.055 -3.898 1.00 0.00 C ATOM 615 OD1 ASN A 133 11.853 6.081 -4.403 1.00 0.00 O ATOM 616 ND2 ASN A 133 14.066 5.812 -4.607 1.00 0.00 N ATOM 0 H ASN A 133 11.259 7.801 -2.160 1.00 0.00 H new ATOM 0 HA ASN A 133 11.437 5.067 -2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 133 13.398 7.355 -2.251 1.00 0.00 H new ATOM 0 HB3 ASN A 133 14.038 5.734 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 133 13.994 5.638 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 133 14.978 5.799 -4.151 1.00 0.00 H new ATOM 622 N GLN A 134 12.535 6.391 0.728 1.00 0.00 N ATOM 623 CA GLN A 134 13.016 6.035 2.060 1.00 0.00 C ATOM 624 C GLN A 134 12.171 4.919 2.678 1.00 0.00 C ATOM 625 O GLN A 134 12.690 3.866 3.049 1.00 0.00 O ATOM 626 CB GLN A 134 13.030 7.266 2.966 1.00 0.00 C ATOM 627 CG GLN A 134 13.992 8.339 2.505 1.00 0.00 C ATOM 628 CD GLN A 134 15.437 8.094 2.918 1.00 0.00 C ATOM 629 OE1 GLN A 134 16.212 9.038 3.074 1.00 0.00 O ATOM 630 NE2 GLN A 134 15.812 6.843 3.123 1.00 0.00 N ATOM 0 H GLN A 134 12.320 7.380 0.600 1.00 0.00 H new ATOM 0 HA GLN A 134 14.035 5.661 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 134 12.025 7.685 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 134 13.296 6.960 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 134 13.943 8.414 1.419 1.00 0.00 H new ATOM 0 HG3 GLN A 134 13.668 9.300 2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 134 15.147 6.082 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 134 16.767 6.639 3.419 1.00 0.00 H new ATOM 637 N GLU A 135 10.865 5.128 2.743 1.00 0.00 N ATOM 638 CA GLU A 135 9.974 4.124 3.302 1.00 0.00 C ATOM 639 C GLU A 135 9.756 2.983 2.318 1.00 0.00 C ATOM 640 O GLU A 135 9.624 1.833 2.720 1.00 0.00 O ATOM 641 CB GLU A 135 8.638 4.750 3.698 1.00 0.00 C ATOM 642 CG GLU A 135 8.771 5.783 4.798 1.00 0.00 C ATOM 643 CD GLU A 135 7.436 6.251 5.330 1.00 0.00 C ATOM 644 OE1 GLU A 135 6.847 5.538 6.164 1.00 0.00 O ATOM 645 OE2 GLU A 135 6.985 7.347 4.936 1.00 0.00 O ATOM 0 H GLU A 135 10.402 5.977 2.418 1.00 0.00 H new ATOM 0 HA GLU A 135 10.444 3.717 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.188 5.216 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.958 3.964 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 135 9.355 5.362 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 135 9.326 6.641 4.419 1.00 0.00 H new ATOM 650 N CYS A 136 9.744 3.304 1.033 1.00 0.00 N ATOM 651 CA CYS A 136 9.569 2.299 -0.014 1.00 0.00 C ATOM 652 C CYS A 136 10.652 1.228 0.074 1.00 0.00 C ATOM 653 O CYS A 136 10.368 0.028 0.028 1.00 0.00 O ATOM 654 CB CYS A 136 9.599 2.979 -1.388 1.00 0.00 C ATOM 655 SG CYS A 136 9.565 1.853 -2.800 1.00 0.00 S ATOM 0 H CYS A 136 9.854 4.257 0.685 1.00 0.00 H new ATOM 0 HA CYS A 136 8.604 1.811 0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 136 8.746 3.654 -1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 136 10.498 3.592 -1.453 1.00 0.00 H new ATOM 0 HG CYS A 136 9.181 2.499 -3.861 1.00 0.00 H new ATOM 660 N GLU A 137 11.889 1.668 0.229 1.00 0.00 N ATOM 661 CA GLU A 137 13.017 0.762 0.307 1.00 0.00 C ATOM 662 C GLU A 137 13.033 0.049 1.656 1.00 0.00 C ATOM 663 O GLU A 137 13.539 -1.070 1.770 1.00 0.00 O ATOM 664 CB GLU A 137 14.316 1.531 0.076 1.00 0.00 C ATOM 665 CG GLU A 137 14.343 2.280 -1.251 1.00 0.00 C ATOM 666 CD GLU A 137 15.618 3.069 -1.441 1.00 0.00 C ATOM 667 OE1 GLU A 137 15.685 4.220 -0.967 1.00 0.00 O ATOM 668 OE2 GLU A 137 16.564 2.539 -2.061 1.00 0.00 O ATOM 0 H GLU A 137 12.136 2.655 0.304 1.00 0.00 H new ATOM 0 HA GLU A 137 12.922 0.004 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 137 14.459 2.242 0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 137 15.154 0.835 0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 137 14.234 1.568 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 137 13.490 2.956 -1.301 1.00 0.00 H new ATOM 673 N GLU A 138 12.460 0.698 2.668 1.00 0.00 N ATOM 674 CA GLU A 138 12.307 0.090 3.982 1.00 0.00 C ATOM 675 C GLU A 138 11.400 -1.128 3.865 1.00 0.00 C ATOM 676 O GLU A 138 11.751 -2.230 4.275 1.00 0.00 O ATOM 677 CB GLU A 138 11.686 1.099 4.954 1.00 0.00 C ATOM 678 CG GLU A 138 11.998 0.828 6.415 1.00 0.00 C ATOM 679 CD GLU A 138 13.445 1.109 6.762 1.00 0.00 C ATOM 680 OE1 GLU A 138 13.761 2.261 7.132 1.00 0.00 O ATOM 681 OE2 GLU A 138 14.273 0.184 6.677 1.00 0.00 O ATOM 0 H GLU A 138 12.094 1.648 2.599 1.00 0.00 H new ATOM 0 HA GLU A 138 13.284 -0.212 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 138 12.039 2.098 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.604 1.099 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 138 11.352 1.443 7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 138 11.768 -0.212 6.645 1.00 0.00 H new ATOM 686 N ILE A 139 10.243 -0.911 3.262 1.00 0.00 N ATOM 687 CA ILE A 139 9.240 -1.952 3.087 1.00 0.00 C ATOM 688 C ILE A 139 9.801 -3.139 2.305 1.00 0.00 C ATOM 689 O ILE A 139 9.595 -4.299 2.675 1.00 0.00 O ATOM 690 CB ILE A 139 8.015 -1.408 2.331 1.00 0.00 C ATOM 691 CG1 ILE A 139 7.446 -0.144 2.989 1.00 0.00 C ATOM 692 CG2 ILE A 139 6.963 -2.483 2.229 1.00 0.00 C ATOM 693 CD1 ILE A 139 7.550 -0.096 4.494 1.00 0.00 C ATOM 0 H ILE A 139 9.971 -0.006 2.878 1.00 0.00 H new ATOM 0 HA ILE A 139 8.947 -2.281 4.084 1.00 0.00 H new ATOM 0 HB ILE A 139 8.335 -1.123 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 139 7.963 0.723 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 139 6.396 -0.051 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 139 6.097 -2.095 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 139 7.369 -3.339 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 139 6.662 -2.793 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 139 7.120 0.837 4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 139 7.007 -0.938 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 139 8.598 -0.152 4.788 1.00 0.00 H new ATOM 704 N LEU A 140 10.524 -2.835 1.236 1.00 0.00 N ATOM 705 CA LEU A 140 11.081 -3.858 0.362 1.00 0.00 C ATOM 706 C LEU A 140 12.114 -4.679 1.119 1.00 0.00 C ATOM 707 O LEU A 140 12.333 -5.851 0.827 1.00 0.00 O ATOM 708 CB LEU A 140 11.724 -3.208 -0.860 1.00 0.00 C ATOM 709 CG LEU A 140 11.485 -3.907 -2.208 1.00 0.00 C ATOM 710 CD1 LEU A 140 12.219 -5.230 -2.258 1.00 0.00 C ATOM 711 CD2 LEU A 140 10.004 -4.132 -2.461 1.00 0.00 C ATOM 0 H LEU A 140 10.740 -1.880 0.952 1.00 0.00 H new ATOM 0 HA LEU A 140 10.278 -4.516 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 140 11.357 -2.184 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 140 12.799 -3.150 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 140 11.871 -3.252 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 140 12.038 -5.710 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.288 -5.058 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 140 11.860 -5.876 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 140 9.870 -4.628 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 140 9.591 -4.757 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 140 9.487 -3.172 -2.473 1.00 0.00 H new ATOM 722 N GLN A 141 12.746 -4.059 2.098 1.00 0.00 N ATOM 723 CA GLN A 141 13.720 -4.755 2.919 1.00 0.00 C ATOM 724 C GLN A 141 13.040 -5.738 3.862 1.00 0.00 C ATOM 725 O GLN A 141 13.519 -6.854 4.060 1.00 0.00 O ATOM 726 CB GLN A 141 14.588 -3.763 3.703 1.00 0.00 C ATOM 727 CG GLN A 141 15.438 -4.429 4.775 1.00 0.00 C ATOM 728 CD GLN A 141 16.529 -3.530 5.312 1.00 0.00 C ATOM 729 OE1 GLN A 141 16.395 -2.308 5.337 1.00 0.00 O ATOM 730 NE2 GLN A 141 17.622 -4.131 5.745 1.00 0.00 N ATOM 0 H GLN A 141 12.604 -3.079 2.344 1.00 0.00 H new ATOM 0 HA GLN A 141 14.370 -5.322 2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 141 15.240 -3.233 3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.945 -3.017 4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 141 14.795 -4.741 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 141 15.889 -5.332 4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 141 17.694 -5.148 5.707 1.00 0.00 H new ATOM 0 HE22 GLN A 141 18.394 -3.579 6.117 1.00 0.00 H new ATOM 737 N ILE A 142 11.908 -5.344 4.410 1.00 0.00 N ATOM 738 CA ILE A 142 11.241 -6.157 5.415 1.00 0.00 C ATOM 739 C ILE A 142 10.430 -7.280 4.777 1.00 0.00 C ATOM 740 O ILE A 142 10.222 -8.318 5.393 1.00 0.00 O ATOM 741 CB ILE A 142 10.361 -5.286 6.365 1.00 0.00 C ATOM 742 CG1 ILE A 142 11.229 -4.590 7.423 1.00 0.00 C ATOM 743 CG2 ILE A 142 9.278 -6.102 7.052 1.00 0.00 C ATOM 744 CD1 ILE A 142 12.186 -3.557 6.873 1.00 0.00 C ATOM 0 H ILE A 142 11.431 -4.472 4.180 1.00 0.00 H new ATOM 0 HA ILE A 142 12.017 -6.621 6.024 1.00 0.00 H new ATOM 0 HB ILE A 142 9.874 -4.536 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 142 10.575 -4.109 8.151 1.00 0.00 H new ATOM 0 HG13 ILE A 142 11.801 -5.347 7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 142 8.691 -5.453 7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 142 8.626 -6.547 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 142 9.739 -6.891 7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 142 12.757 -3.118 7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 142 12.868 -4.032 6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 142 11.624 -2.775 6.363 1.00 0.00 H new ATOM 755 N CYS A 143 10.013 -7.093 3.529 1.00 0.00 N ATOM 756 CA CYS A 143 9.385 -8.168 2.761 1.00 0.00 C ATOM 757 C CYS A 143 10.327 -9.362 2.702 1.00 0.00 C ATOM 758 O CYS A 143 9.923 -10.512 2.540 1.00 0.00 O ATOM 759 CB CYS A 143 9.083 -7.686 1.348 1.00 0.00 C ATOM 760 SG CYS A 143 10.447 -7.888 0.177 1.00 0.00 S ATOM 0 H CYS A 143 10.097 -6.209 3.026 1.00 0.00 H new ATOM 0 HA CYS A 143 8.453 -8.461 3.245 1.00 0.00 H new ATOM 0 HB2 CYS A 143 8.215 -8.227 0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 143 8.809 -6.632 1.388 1.00 0.00 H new ATOM 0 HG CYS A 143 11.443 -7.134 0.537 1.00 0.00 H new ATOM 765 N SER A 144 11.592 -9.040 2.849 1.00 0.00 N ATOM 766 CA SER A 144 12.671 -10.004 2.838 1.00 0.00 C ATOM 767 C SER A 144 12.964 -10.510 4.243 1.00 0.00 C ATOM 768 O SER A 144 12.827 -11.700 4.534 1.00 0.00 O ATOM 769 CB SER A 144 13.909 -9.335 2.280 1.00 0.00 C ATOM 770 OG SER A 144 13.698 -8.919 0.938 1.00 0.00 O ATOM 0 H SER A 144 11.907 -8.079 2.983 1.00 0.00 H new ATOM 0 HA SER A 144 12.381 -10.855 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 144 14.171 -8.474 2.895 1.00 0.00 H new ATOM 0 HB3 SER A 144 14.751 -10.025 2.323 1.00 0.00 H new ATOM 0 HG SER A 144 12.752 -8.697 0.809 1.00 0.00 H new ATOM 775 N THR A 145 13.354 -9.581 5.104 1.00 0.00 N ATOM 776 CA THR A 145 13.812 -9.892 6.441 1.00 0.00 C ATOM 777 C THR A 145 12.703 -10.497 7.294 1.00 0.00 C ATOM 778 O THR A 145 12.788 -11.636 7.758 1.00 0.00 O ATOM 779 CB THR A 145 14.337 -8.617 7.107 1.00 0.00 C ATOM 780 OG1 THR A 145 13.320 -7.606 7.137 1.00 0.00 O ATOM 781 CG2 THR A 145 15.521 -8.109 6.325 1.00 0.00 C ATOM 0 H THR A 145 13.360 -8.584 4.888 1.00 0.00 H new ATOM 0 HA THR A 145 14.609 -10.631 6.361 1.00 0.00 H new ATOM 0 HB THR A 145 14.629 -8.847 8.132 1.00 0.00 H new ATOM 0 HG1 THR A 145 13.673 -6.799 7.567 1.00 0.00 H new ATOM 0 HG21 THR A 145 15.902 -7.201 6.791 1.00 0.00 H new ATOM 0 HG22 THR A 145 16.303 -8.868 6.315 1.00 0.00 H new ATOM 0 HG23 THR A 145 15.215 -7.890 5.302 1.00 0.00 H new ATOM 789 N LYS A 146 11.663 -9.714 7.473 1.00 0.00 N ATOM 790 CA LYS A 146 10.531 -10.084 8.290 1.00 0.00 C ATOM 791 C LYS A 146 9.557 -10.969 7.526 1.00 0.00 C ATOM 792 O LYS A 146 8.987 -11.910 8.077 1.00 0.00 O ATOM 793 CB LYS A 146 9.846 -8.821 8.749 1.00 0.00 C ATOM 794 CG LYS A 146 10.661 -8.026 9.746 1.00 0.00 C ATOM 795 CD LYS A 146 10.926 -8.808 11.017 1.00 0.00 C ATOM 796 CE LYS A 146 11.587 -7.933 12.068 1.00 0.00 C ATOM 797 NZ LYS A 146 11.814 -8.666 13.339 1.00 0.00 N ATOM 0 H LYS A 146 11.579 -8.790 7.049 1.00 0.00 H new ATOM 0 HA LYS A 146 10.880 -10.659 9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 146 9.634 -8.195 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 146 8.887 -9.079 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 146 11.610 -7.740 9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 146 10.134 -7.104 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 146 9.988 -9.204 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 146 11.566 -9.662 10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 146 12.539 -7.565 11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 146 10.962 -7.061 12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 12.267 -8.033 14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 10.903 -8.995 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 12.432 -9.484 13.163 1.00 0.00 H new ATOM 807 N GLY A 147 9.381 -10.666 6.249 1.00 0.00 N ATOM 808 CA GLY A 147 8.429 -11.375 5.443 1.00 0.00 C ATOM 809 C GLY A 147 7.519 -10.416 4.719 1.00 0.00 C ATOM 810 O GLY A 147 7.370 -9.266 5.135 1.00 0.00 O ATOM 0 H GLY A 147 9.891 -9.931 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 147 8.953 -12.002 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 147 7.837 -12.040 6.072 1.00 0.00 H new ATOM 814 N MET A 148 6.936 -10.877 3.630 1.00 0.00 N ATOM 815 CA MET A 148 5.998 -10.081 2.845 1.00 0.00 C ATOM 816 C MET A 148 4.916 -9.479 3.717 1.00 0.00 C ATOM 817 O MET A 148 4.630 -8.297 3.627 1.00 0.00 O ATOM 818 CB MET A 148 5.332 -10.941 1.784 1.00 0.00 C ATOM 819 CG MET A 148 6.291 -11.407 0.736 1.00 0.00 C ATOM 820 SD MET A 148 6.684 -10.073 -0.391 1.00 0.00 S ATOM 821 CE MET A 148 8.350 -10.496 -0.836 1.00 0.00 C ATOM 0 H MET A 148 7.096 -11.814 3.260 1.00 0.00 H new ATOM 0 HA MET A 148 6.571 -9.279 2.379 1.00 0.00 H new ATOM 0 HB2 MET A 148 4.871 -11.806 2.260 1.00 0.00 H new ATOM 0 HB3 MET A 148 4.531 -10.373 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 148 7.203 -11.774 1.207 1.00 0.00 H new ATOM 0 HG3 MET A 148 5.859 -12.242 0.184 1.00 0.00 H new ATOM 0 HE1 MET A 148 8.664 -9.891 -1.687 1.00 0.00 H new ATOM 0 HE2 MET A 148 9.012 -10.305 0.009 1.00 0.00 H new ATOM 0 HE3 MET A 148 8.398 -11.552 -1.103 1.00 0.00 H new ATOM 829 N MET A 149 4.324 -10.292 4.567 1.00 0.00 N ATOM 830 CA MET A 149 3.249 -9.822 5.435 1.00 0.00 C ATOM 831 C MET A 149 3.728 -8.706 6.357 1.00 0.00 C ATOM 832 O MET A 149 2.995 -7.758 6.614 1.00 0.00 O ATOM 833 CB MET A 149 2.661 -10.967 6.249 1.00 0.00 C ATOM 834 CG MET A 149 2.169 -12.116 5.390 1.00 0.00 C ATOM 835 SD MET A 149 0.530 -12.701 5.859 1.00 0.00 S ATOM 836 CE MET A 149 0.806 -13.117 7.573 1.00 0.00 C ATOM 0 H MET A 149 4.563 -11.277 4.680 1.00 0.00 H new ATOM 0 HA MET A 149 2.466 -9.419 4.793 1.00 0.00 H new ATOM 0 HB2 MET A 149 3.416 -11.337 6.943 1.00 0.00 H new ATOM 0 HB3 MET A 149 1.833 -10.590 6.850 1.00 0.00 H new ATOM 0 HG2 MET A 149 2.150 -11.800 4.347 1.00 0.00 H new ATOM 0 HG3 MET A 149 2.876 -12.942 5.460 1.00 0.00 H new ATOM 0 HE1 MET A 149 0.021 -13.791 7.915 1.00 0.00 H new ATOM 0 HE2 MET A 149 1.775 -13.606 7.677 1.00 0.00 H new ATOM 0 HE3 MET A 149 0.792 -12.208 8.175 1.00 0.00 H new ATOM 844 N ALA A 150 4.970 -8.798 6.821 1.00 0.00 N ATOM 845 CA ALA A 150 5.525 -7.782 7.702 1.00 0.00 C ATOM 846 C ALA A 150 5.870 -6.531 6.914 1.00 0.00 C ATOM 847 O ALA A 150 5.682 -5.412 7.389 1.00 0.00 O ATOM 848 CB ALA A 150 6.742 -8.317 8.421 1.00 0.00 C ATOM 0 H ALA A 150 5.608 -9.563 6.602 1.00 0.00 H new ATOM 0 HA ALA A 150 4.776 -7.519 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 150 7.146 -7.545 9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 150 6.461 -9.187 9.015 1.00 0.00 H new ATOM 0 HB3 ALA A 150 7.498 -8.605 7.691 1.00 0.00 H new ATOM 854 N GLY A 151 6.377 -6.733 5.708 1.00 0.00 N ATOM 855 CA GLY A 151 6.617 -5.627 4.808 1.00 0.00 C ATOM 856 C GLY A 151 5.323 -4.918 4.467 1.00 0.00 C ATOM 857 O GLY A 151 5.276 -3.701 4.437 1.00 0.00 O ATOM 0 H GLY A 151 6.628 -7.649 5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 151 7.312 -4.924 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.088 -5.991 3.895 1.00 0.00 H new ATOM 861 N ALA A 152 4.265 -5.692 4.246 1.00 0.00 N ATOM 862 CA ALA A 152 2.950 -5.135 3.951 1.00 0.00 C ATOM 863 C ALA A 152 2.410 -4.398 5.165 1.00 0.00 C ATOM 864 O ALA A 152 1.826 -3.324 5.043 1.00 0.00 O ATOM 865 CB ALA A 152 1.976 -6.224 3.522 1.00 0.00 C ATOM 0 H ALA A 152 4.294 -6.711 4.266 1.00 0.00 H new ATOM 0 HA ALA A 152 3.057 -4.432 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 152 1.004 -5.779 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 152 2.354 -6.718 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 152 1.872 -6.956 4.323 1.00 0.00 H new ATOM 871 N GLU A 153 2.631 -4.980 6.343 1.00 0.00 N ATOM 872 CA GLU A 153 2.227 -4.350 7.590 1.00 0.00 C ATOM 873 C GLU A 153 2.957 -3.016 7.782 1.00 0.00 C ATOM 874 O GLU A 153 2.421 -2.065 8.353 1.00 0.00 O ATOM 875 CB GLU A 153 2.505 -5.264 8.789 1.00 0.00 C ATOM 876 CG GLU A 153 1.551 -6.444 8.913 1.00 0.00 C ATOM 877 CD GLU A 153 1.853 -7.294 10.128 1.00 0.00 C ATOM 878 OE1 GLU A 153 1.367 -6.956 11.228 1.00 0.00 O ATOM 879 OE2 GLU A 153 2.571 -8.306 9.995 1.00 0.00 O ATOM 0 H GLU A 153 3.087 -5.885 6.455 1.00 0.00 H new ATOM 0 HA GLU A 153 1.154 -4.168 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 153 3.524 -5.643 8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 153 2.452 -4.672 9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 153 0.527 -6.077 8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 153 1.617 -7.059 8.015 1.00 0.00 H new ATOM 884 N LYS A 154 4.193 -2.965 7.301 1.00 0.00 N ATOM 885 CA LYS A 154 5.012 -1.756 7.361 1.00 0.00 C ATOM 886 C LYS A 154 4.584 -0.781 6.276 1.00 0.00 C ATOM 887 O LYS A 154 4.671 0.435 6.421 1.00 0.00 O ATOM 888 CB LYS A 154 6.489 -2.123 7.164 1.00 0.00 C ATOM 889 CG LYS A 154 7.396 -1.794 8.335 1.00 0.00 C ATOM 890 CD LYS A 154 7.270 -0.346 8.789 1.00 0.00 C ATOM 891 CE LYS A 154 7.893 0.623 7.800 1.00 0.00 C ATOM 892 NZ LYS A 154 7.849 2.019 8.304 1.00 0.00 N ATOM 0 H LYS A 154 4.657 -3.758 6.859 1.00 0.00 H new ATOM 0 HA LYS A 154 4.879 -1.287 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 154 6.558 -3.192 6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 154 6.861 -1.605 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 154 7.158 -2.454 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 154 8.430 -1.994 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 154 6.217 -0.099 8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 154 7.750 -0.229 9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 154 8.927 0.336 7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.366 0.562 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 7.567 2.658 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 7.159 2.087 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 8.790 2.292 8.653 1.00 0.00 H new ATOM 902 N LEU A 155 4.108 -1.336 5.196 1.00 0.00 N ATOM 903 CA LEU A 155 3.753 -0.572 4.029 1.00 0.00 C ATOM 904 C LEU A 155 2.433 0.167 4.239 1.00 0.00 C ATOM 905 O LEU A 155 2.278 1.276 3.753 1.00 0.00 O ATOM 906 CB LEU A 155 3.715 -1.535 2.840 1.00 0.00 C ATOM 907 CG LEU A 155 3.337 -0.957 1.484 1.00 0.00 C ATOM 908 CD1 LEU A 155 4.118 -1.625 0.381 1.00 0.00 C ATOM 909 CD2 LEU A 155 1.896 -1.221 1.210 1.00 0.00 C ATOM 0 H LEU A 155 3.954 -2.340 5.099 1.00 0.00 H new ATOM 0 HA LEU A 155 4.491 0.205 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 155 4.699 -1.996 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 155 3.010 -2.333 3.075 1.00 0.00 H new ATOM 0 HG LEU A 155 3.551 0.111 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 155 3.831 -1.196 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 155 5.184 -1.469 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 155 3.904 -2.694 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 155 1.628 -0.806 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 155 1.717 -2.296 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 155 1.287 -0.754 1.984 1.00 0.00 H new ATOM 920 N VAL A 156 1.508 -0.411 5.006 1.00 0.00 N ATOM 921 CA VAL A 156 0.213 0.238 5.232 1.00 0.00 C ATOM 922 C VAL A 156 0.386 1.552 5.976 1.00 0.00 C ATOM 923 O VAL A 156 -0.229 2.556 5.625 1.00 0.00 O ATOM 924 CB VAL A 156 -0.793 -0.657 5.976 1.00 0.00 C ATOM 925 CG1 VAL A 156 -1.030 -1.923 5.207 1.00 0.00 C ATOM 926 CG2 VAL A 156 -0.311 -0.944 7.367 1.00 0.00 C ATOM 0 H VAL A 156 1.625 -1.310 5.474 1.00 0.00 H new ATOM 0 HA VAL A 156 -0.202 0.431 4.243 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.744 -0.130 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -1.744 -2.547 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -1.429 -1.681 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.089 -2.462 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -1.035 -1.578 7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 156 0.651 -1.455 7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -0.198 -0.008 7.914 1.00 0.00 H new ATOM 936 N GLU A 157 1.249 1.560 6.975 1.00 0.00 N ATOM 937 CA GLU A 157 1.507 2.785 7.711 1.00 0.00 C ATOM 938 C GLU A 157 2.204 3.785 6.807 1.00 0.00 C ATOM 939 O GLU A 157 1.964 4.987 6.886 1.00 0.00 O ATOM 940 CB GLU A 157 2.331 2.519 8.959 1.00 0.00 C ATOM 941 CG GLU A 157 3.631 1.839 8.658 1.00 0.00 C ATOM 942 CD GLU A 157 4.558 1.780 9.849 1.00 0.00 C ATOM 943 OE1 GLU A 157 4.188 1.157 10.864 1.00 0.00 O ATOM 944 OE2 GLU A 157 5.657 2.364 9.777 1.00 0.00 O ATOM 0 H GLU A 157 1.776 0.746 7.292 1.00 0.00 H new ATOM 0 HA GLU A 157 0.553 3.201 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 157 2.528 3.463 9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 157 1.753 1.901 9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 157 3.432 0.826 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 157 4.129 2.364 7.843 1.00 0.00 H new ATOM 949 N CYS A 158 3.034 3.260 5.918 1.00 0.00 N ATOM 950 CA CYS A 158 3.752 4.061 4.952 1.00 0.00 C ATOM 951 C CYS A 158 2.793 4.708 3.956 1.00 0.00 C ATOM 952 O CYS A 158 3.027 5.828 3.498 1.00 0.00 O ATOM 953 CB CYS A 158 4.782 3.169 4.260 1.00 0.00 C ATOM 954 SG CYS A 158 6.204 2.794 5.311 1.00 0.00 S ATOM 0 H CYS A 158 3.226 2.260 5.850 1.00 0.00 H new ATOM 0 HA CYS A 158 4.269 4.879 5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 158 4.304 2.237 3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 158 5.128 3.660 3.350 1.00 0.00 H new ATOM 0 HG CYS A 158 6.725 3.902 5.747 1.00 0.00 H new ATOM 959 N LEU A 159 1.703 4.014 3.641 1.00 0.00 N ATOM 960 CA LEU A 159 0.677 4.562 2.763 1.00 0.00 C ATOM 961 C LEU A 159 -0.089 5.658 3.486 1.00 0.00 C ATOM 962 O LEU A 159 -0.309 6.736 2.943 1.00 0.00 O ATOM 963 CB LEU A 159 -0.310 3.481 2.311 1.00 0.00 C ATOM 964 CG LEU A 159 0.302 2.130 1.961 1.00 0.00 C ATOM 965 CD1 LEU A 159 -0.748 1.186 1.410 1.00 0.00 C ATOM 966 CD2 LEU A 159 1.423 2.288 0.962 1.00 0.00 C ATOM 0 H LEU A 159 1.509 3.072 3.981 1.00 0.00 H new ATOM 0 HA LEU A 159 1.176 4.967 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -1.044 3.332 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.851 3.851 1.440 1.00 0.00 H new ATOM 0 HG LEU A 159 0.708 1.705 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.286 0.229 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.528 1.034 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -1.186 1.615 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 159 1.843 1.310 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.036 2.744 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.200 2.925 1.385 1.00 0.00 H new ATOM 977 N LEU A 160 -0.486 5.373 4.724 1.00 0.00 N ATOM 978 CA LEU A 160 -1.256 6.310 5.524 1.00 0.00 C ATOM 979 C LEU A 160 -0.441 7.563 5.846 1.00 0.00 C ATOM 980 O LEU A 160 -1.000 8.612 6.167 1.00 0.00 O ATOM 981 CB LEU A 160 -1.678 5.599 6.802 1.00 0.00 C ATOM 982 CG LEU A 160 -3.123 5.803 7.260 1.00 0.00 C ATOM 983 CD1 LEU A 160 -4.049 6.055 6.096 1.00 0.00 C ATOM 984 CD2 LEU A 160 -3.569 4.567 8.007 1.00 0.00 C ATOM 0 H LEU A 160 -0.283 4.491 5.194 1.00 0.00 H new ATOM 0 HA LEU A 160 -2.134 6.637 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -1.512 4.530 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -1.018 5.925 7.606 1.00 0.00 H new ATOM 0 HG LEU A 160 -3.163 6.680 7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -5.066 6.195 6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.729 6.951 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -4.022 5.202 5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 160 -4.599 4.696 8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -3.507 3.701 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 160 -2.924 4.412 8.872 1.00 0.00 H new ATOM 995 N ARG A 161 0.882 7.451 5.766 1.00 0.00 N ATOM 996 CA ARG A 161 1.765 8.595 5.973 1.00 0.00 C ATOM 997 C ARG A 161 1.775 9.500 4.745 1.00 0.00 C ATOM 998 O ARG A 161 2.279 10.624 4.788 1.00 0.00 O ATOM 999 CB ARG A 161 3.188 8.132 6.291 1.00 0.00 C ATOM 1000 CG ARG A 161 3.331 7.493 7.659 1.00 0.00 C ATOM 1001 CD ARG A 161 4.756 7.040 7.916 1.00 0.00 C ATOM 1002 NE ARG A 161 4.924 6.513 9.268 1.00 0.00 N ATOM 1003 CZ ARG A 161 6.010 5.867 9.684 1.00 0.00 C ATOM 1004 NH1 ARG A 161 6.983 5.572 8.828 1.00 0.00 N ATOM 1005 NH2 ARG A 161 6.109 5.482 10.949 1.00 0.00 N ATOM 0 H ARG A 161 1.367 6.578 5.559 1.00 0.00 H new ATOM 0 HA ARG A 161 1.384 9.162 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 161 3.506 7.418 5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 161 3.861 8.987 6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 161 3.031 8.205 8.427 1.00 0.00 H new ATOM 0 HG3 ARG A 161 2.658 6.639 7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 161 5.030 6.274 7.191 1.00 0.00 H new ATOM 0 HD3 ARG A 161 5.436 7.878 7.766 1.00 0.00 H new ATOM 0 HE ARG A 161 4.163 6.648 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 161 6.899 5.841 7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 161 7.814 5.077 9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 161 5.352 5.681 11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 161 6.942 4.987 11.268 1.00 0.00 H new ATOM 1016 N SER A 162 1.225 9.001 3.651 1.00 0.00 N ATOM 1017 CA SER A 162 1.100 9.777 2.433 1.00 0.00 C ATOM 1018 C SER A 162 -0.347 10.229 2.284 1.00 0.00 C ATOM 1019 O SER A 162 -1.247 9.653 2.901 1.00 0.00 O ATOM 1020 CB SER A 162 1.523 8.937 1.226 1.00 0.00 C ATOM 1021 OG SER A 162 1.634 9.731 0.055 1.00 0.00 O ATOM 0 H SER A 162 0.855 8.053 3.584 1.00 0.00 H new ATOM 0 HA SER A 162 1.751 10.650 2.484 1.00 0.00 H new ATOM 0 HB2 SER A 162 2.479 8.456 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 162 0.795 8.142 1.061 1.00 0.00 H new ATOM 0 HG SER A 162 1.907 9.167 -0.698 1.00 0.00 H new ATOM 1026 N ASP A 163 -0.578 11.267 1.495 1.00 0.00 N ATOM 1027 CA ASP A 163 -1.937 11.719 1.246 1.00 0.00 C ATOM 1028 C ASP A 163 -2.078 12.228 -0.183 1.00 0.00 C ATOM 1029 O ASP A 163 -2.658 13.283 -0.438 1.00 0.00 O ATOM 1030 CB ASP A 163 -2.344 12.796 2.250 1.00 0.00 C ATOM 1031 CG ASP A 163 -3.849 12.937 2.348 1.00 0.00 C ATOM 1032 OD1 ASP A 163 -4.510 11.967 2.782 1.00 0.00 O ATOM 1033 OD2 ASP A 163 -4.377 14.010 1.992 1.00 0.00 O ATOM 0 H ASP A 163 0.147 11.806 1.022 1.00 0.00 H new ATOM 0 HA ASP A 163 -2.608 10.870 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -1.938 12.550 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -1.908 13.751 1.955 1.00 0.00 H new ATOM 1037 N LYS A 164 -1.523 11.467 -1.113 1.00 0.00 N ATOM 1038 CA LYS A 164 -1.678 11.740 -2.527 1.00 0.00 C ATOM 1039 C LYS A 164 -3.085 11.353 -2.987 1.00 0.00 C ATOM 1040 O LYS A 164 -3.617 10.331 -2.565 1.00 0.00 O ATOM 1041 CB LYS A 164 -0.651 10.950 -3.318 1.00 0.00 C ATOM 1042 CG LYS A 164 0.780 11.396 -3.086 1.00 0.00 C ATOM 1043 CD LYS A 164 0.960 12.886 -3.328 1.00 0.00 C ATOM 1044 CE LYS A 164 2.401 13.326 -3.101 1.00 0.00 C ATOM 1045 NZ LYS A 164 3.359 12.600 -3.979 1.00 0.00 N ATOM 0 H LYS A 164 -0.955 10.646 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.527 12.806 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -0.739 9.895 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -0.880 11.036 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 164 1.073 11.157 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 164 1.445 10.839 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 164 0.663 13.127 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 164 0.300 13.444 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 164 2.484 14.397 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 164 2.669 13.159 -2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 4.278 13.086 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 3.477 11.626 -3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 2.992 12.580 -4.952 1.00 0.00 H new ATOM 1055 N GLU A 165 -3.678 12.149 -3.867 1.00 0.00 N ATOM 1056 CA GLU A 165 -4.981 11.809 -4.455 1.00 0.00 C ATOM 1057 C GLU A 165 -4.848 10.615 -5.374 1.00 0.00 C ATOM 1058 O GLU A 165 -5.804 10.214 -6.026 1.00 0.00 O ATOM 1059 CB GLU A 165 -5.557 12.993 -5.227 1.00 0.00 C ATOM 1060 CG GLU A 165 -5.735 14.227 -4.374 1.00 0.00 C ATOM 1061 CD GLU A 165 -6.369 15.374 -5.133 1.00 0.00 C ATOM 1062 OE1 GLU A 165 -7.577 15.288 -5.449 1.00 0.00 O ATOM 1063 OE2 GLU A 165 -5.665 16.363 -5.425 1.00 0.00 O ATOM 0 H GLU A 165 -3.285 13.032 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 165 -5.662 11.561 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -4.899 13.229 -6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -6.521 12.709 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -6.354 13.981 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -4.764 14.542 -3.991 1.00 0.00 H new ATOM 1068 N ASN A 166 -3.649 10.077 -5.451 1.00 0.00 N ATOM 1069 CA ASN A 166 -3.426 8.854 -6.185 1.00 0.00 C ATOM 1070 C ASN A 166 -3.053 7.680 -5.266 1.00 0.00 C ATOM 1071 O ASN A 166 -3.266 6.541 -5.649 1.00 0.00 O ATOM 1072 CB ASN A 166 -2.375 9.066 -7.281 1.00 0.00 C ATOM 1073 CG ASN A 166 -1.010 9.471 -6.763 1.00 0.00 C ATOM 1074 OD1 ASN A 166 -0.786 10.628 -6.412 1.00 0.00 O ATOM 1075 ND2 ASN A 166 -0.075 8.540 -6.763 1.00 0.00 N ATOM 0 H ASN A 166 -2.815 10.469 -5.014 1.00 0.00 H new ATOM 0 HA ASN A 166 -4.368 8.584 -6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 166 -2.275 8.145 -7.855 1.00 0.00 H new ATOM 0 HB3 ASN A 166 -2.733 9.833 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 166 0.873 8.769 -6.465 1.00 0.00 H new ATOM 0 HD22 ASN A 166 -0.300 7.591 -7.061 1.00 0.00 H new ATOM 1081 N TRP A 167 -2.586 7.943 -4.028 1.00 0.00 N ATOM 1082 CA TRP A 167 -2.030 6.860 -3.180 1.00 0.00 C ATOM 1083 C TRP A 167 -3.018 5.691 -2.955 1.00 0.00 C ATOM 1084 O TRP A 167 -2.650 4.522 -3.144 1.00 0.00 O ATOM 1085 CB TRP A 167 -1.442 7.376 -1.832 1.00 0.00 C ATOM 1086 CG TRP A 167 -2.410 7.618 -0.698 1.00 0.00 C ATOM 1087 CD1 TRP A 167 -2.924 8.817 -0.303 1.00 0.00 C ATOM 1088 CD2 TRP A 167 -2.949 6.642 0.211 1.00 0.00 C ATOM 1089 NE1 TRP A 167 -3.766 8.651 0.766 1.00 0.00 N ATOM 1090 CE2 TRP A 167 -3.797 7.327 1.104 1.00 0.00 C ATOM 1091 CE3 TRP A 167 -2.808 5.258 0.350 1.00 0.00 C ATOM 1092 CZ2 TRP A 167 -4.495 6.677 2.115 1.00 0.00 C ATOM 1093 CZ3 TRP A 167 -3.503 4.616 1.356 1.00 0.00 C ATOM 1094 CH2 TRP A 167 -4.338 5.326 2.226 1.00 0.00 C ATOM 0 H TRP A 167 -2.580 8.868 -3.599 1.00 0.00 H new ATOM 0 HA TRP A 167 -1.196 6.459 -3.756 1.00 0.00 H new ATOM 0 HB2 TRP A 167 -0.698 6.656 -1.492 1.00 0.00 H new ATOM 0 HB3 TRP A 167 -0.915 8.309 -2.030 1.00 0.00 H new ATOM 0 HD1 TRP A 167 -2.699 9.766 -0.768 1.00 0.00 H new ATOM 0 HE1 TRP A 167 -4.285 9.395 1.233 1.00 0.00 H new ATOM 0 HE3 TRP A 167 -2.167 4.701 -0.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 167 -5.139 7.222 2.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 167 -3.400 3.547 1.473 1.00 0.00 H new ATOM 0 HH2 TRP A 167 -4.869 4.794 3.001 1.00 0.00 H new ATOM 1104 N PRO A 168 -4.298 5.946 -2.606 1.00 0.00 N ATOM 1105 CA PRO A 168 -5.214 4.856 -2.318 1.00 0.00 C ATOM 1106 C PRO A 168 -5.664 4.178 -3.600 1.00 0.00 C ATOM 1107 O PRO A 168 -6.192 3.068 -3.586 1.00 0.00 O ATOM 1108 CB PRO A 168 -6.368 5.537 -1.585 1.00 0.00 C ATOM 1109 CG PRO A 168 -6.358 6.946 -2.067 1.00 0.00 C ATOM 1110 CD PRO A 168 -4.951 7.264 -2.492 1.00 0.00 C ATOM 0 HA PRO A 168 -4.767 4.061 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 168 -7.318 5.051 -1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -6.231 5.489 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -7.049 7.072 -2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -6.684 7.624 -1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -4.934 7.800 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -4.447 7.895 -1.760 1.00 0.00 H new ATOM 1115 N LYS A 169 -5.425 4.859 -4.709 1.00 0.00 N ATOM 1116 CA LYS A 169 -5.663 4.302 -6.026 1.00 0.00 C ATOM 1117 C LYS A 169 -4.544 3.346 -6.374 1.00 0.00 C ATOM 1118 O LYS A 169 -4.803 2.269 -6.889 1.00 0.00 O ATOM 1119 CB LYS A 169 -5.761 5.416 -7.076 1.00 0.00 C ATOM 1120 CG LYS A 169 -6.977 6.308 -6.916 1.00 0.00 C ATOM 1121 CD LYS A 169 -6.761 7.328 -5.810 1.00 0.00 C ATOM 1122 CE LYS A 169 -7.940 8.267 -5.636 1.00 0.00 C ATOM 1123 NZ LYS A 169 -8.238 9.049 -6.865 1.00 0.00 N ATOM 0 H LYS A 169 -5.061 5.812 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 169 -6.610 3.763 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -4.862 6.031 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -5.781 4.965 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -7.182 6.822 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.852 5.699 -6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -6.577 6.805 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -5.867 7.912 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.821 7.689 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.734 8.953 -4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -9.051 9.673 -6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -7.409 9.623 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.462 8.398 -7.645 1.00 0.00 H new ATOM 1133 N GLU A 170 -3.317 3.731 -6.025 1.00 0.00 N ATOM 1134 CA GLU A 170 -2.132 2.898 -6.267 1.00 0.00 C ATOM 1135 C GLU A 170 -2.345 1.520 -5.678 1.00 0.00 C ATOM 1136 O GLU A 170 -1.861 0.540 -6.215 1.00 0.00 O ATOM 1137 CB GLU A 170 -0.874 3.484 -5.601 1.00 0.00 C ATOM 1138 CG GLU A 170 -0.791 4.991 -5.615 1.00 0.00 C ATOM 1139 CD GLU A 170 -0.588 5.579 -6.996 1.00 0.00 C ATOM 1140 OE1 GLU A 170 -1.573 5.736 -7.738 1.00 0.00 O ATOM 1141 OE2 GLU A 170 0.556 5.938 -7.329 1.00 0.00 O ATOM 0 H GLU A 170 -3.113 4.621 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 170 -1.989 2.857 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -0.835 3.142 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 170 0.006 3.081 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -1.706 5.400 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 170 0.030 5.306 -4.972 1.00 0.00 H new ATOM 1146 N LEU A 171 -3.050 1.449 -4.554 1.00 0.00 N ATOM 1147 CA LEU A 171 -3.370 0.147 -3.972 1.00 0.00 C ATOM 1148 C LEU A 171 -4.125 -0.749 -4.955 1.00 0.00 C ATOM 1149 O LEU A 171 -3.556 -1.708 -5.472 1.00 0.00 O ATOM 1150 CB LEU A 171 -4.162 0.275 -2.681 1.00 0.00 C ATOM 1151 CG LEU A 171 -3.325 0.539 -1.435 1.00 0.00 C ATOM 1152 CD1 LEU A 171 -2.783 1.947 -1.445 1.00 0.00 C ATOM 1153 CD2 LEU A 171 -4.150 0.305 -0.201 1.00 0.00 C ATOM 0 H LEU A 171 -3.404 2.254 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 171 -2.413 -0.321 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -4.883 1.084 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -4.732 -0.642 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 171 -2.481 -0.151 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -2.189 2.114 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -2.157 2.090 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -3.611 2.655 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -3.543 0.496 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -5.008 0.977 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -4.498 -0.728 -0.186 1.00 0.00 H new ATOM 1164 N LYS A 172 -5.394 -0.436 -5.243 1.00 0.00 N ATOM 1165 CA LYS A 172 -6.188 -1.292 -6.129 1.00 0.00 C ATOM 1166 C LYS A 172 -5.537 -1.375 -7.499 1.00 0.00 C ATOM 1167 O LYS A 172 -5.488 -2.435 -8.124 1.00 0.00 O ATOM 1168 CB LYS A 172 -7.632 -0.787 -6.268 1.00 0.00 C ATOM 1169 CG LYS A 172 -8.468 -1.590 -7.259 1.00 0.00 C ATOM 1170 CD LYS A 172 -8.468 -0.971 -8.652 1.00 0.00 C ATOM 1171 CE LYS A 172 -9.404 0.224 -8.744 1.00 0.00 C ATOM 1172 NZ LYS A 172 -10.832 -0.182 -8.645 1.00 0.00 N ATOM 0 H LYS A 172 -5.883 0.384 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 172 -6.223 -2.285 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -8.114 -0.817 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -7.614 0.256 -6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -8.081 -2.608 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -9.493 -1.658 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -7.456 -0.660 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -8.767 -1.723 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -9.171 0.930 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -9.239 0.743 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -11.438 0.595 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -10.995 -1.024 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -11.063 -0.402 -7.655 1.00 0.00 H new ATOM 1182 N LEU A 173 -5.029 -0.239 -7.938 1.00 0.00 N ATOM 1183 CA LEU A 173 -4.425 -0.107 -9.244 1.00 0.00 C ATOM 1184 C LEU A 173 -3.201 -1.006 -9.380 1.00 0.00 C ATOM 1185 O LEU A 173 -3.013 -1.645 -10.411 1.00 0.00 O ATOM 1186 CB LEU A 173 -4.077 1.362 -9.490 1.00 0.00 C ATOM 1187 CG LEU A 173 -4.903 2.049 -10.576 1.00 0.00 C ATOM 1188 CD1 LEU A 173 -4.483 3.483 -10.710 1.00 0.00 C ATOM 1189 CD2 LEU A 173 -4.783 1.327 -11.906 1.00 0.00 C ATOM 0 H LEU A 173 -5.025 0.623 -7.392 1.00 0.00 H new ATOM 0 HA LEU A 173 -5.136 -0.432 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -4.204 1.911 -8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -3.023 1.430 -9.759 1.00 0.00 H new ATOM 0 HG LEU A 173 -5.951 2.013 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -5.077 3.965 -11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -4.639 3.998 -9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -3.428 3.529 -10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -5.383 1.843 -12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -3.740 1.316 -12.221 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -5.140 0.303 -11.797 1.00 0.00 H new ATOM 1200 N ALA A 174 -2.385 -1.083 -8.340 1.00 0.00 N ATOM 1201 CA ALA A 174 -1.241 -1.979 -8.349 1.00 0.00 C ATOM 1202 C ALA A 174 -1.684 -3.409 -8.556 1.00 0.00 C ATOM 1203 O ALA A 174 -1.129 -4.116 -9.377 1.00 0.00 O ATOM 1204 CB ALA A 174 -0.454 -1.881 -7.064 1.00 0.00 C ATOM 0 H ALA A 174 -2.493 -0.539 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 174 -0.599 -1.675 -9.176 1.00 0.00 H new ATOM 0 HB1 ALA A 174 0.395 -2.564 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -0.093 -0.861 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -1.095 -2.147 -6.224 1.00 0.00 H new ATOM 1210 N LEU A 175 -2.707 -3.821 -7.824 1.00 0.00 N ATOM 1211 CA LEU A 175 -3.206 -5.188 -7.912 1.00 0.00 C ATOM 1212 C LEU A 175 -3.972 -5.419 -9.207 1.00 0.00 C ATOM 1213 O LEU A 175 -4.388 -6.528 -9.496 1.00 0.00 O ATOM 1214 CB LEU A 175 -4.065 -5.561 -6.705 1.00 0.00 C ATOM 1215 CG LEU A 175 -3.310 -5.708 -5.381 1.00 0.00 C ATOM 1216 CD1 LEU A 175 -1.836 -6.019 -5.610 1.00 0.00 C ATOM 1217 CD2 LEU A 175 -3.467 -4.462 -4.547 1.00 0.00 C ATOM 0 H LEU A 175 -3.209 -3.230 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 175 -2.334 -5.841 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -4.837 -4.801 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -4.574 -6.501 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 175 -3.743 -6.549 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -1.331 -6.117 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -1.743 -6.952 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -1.378 -5.211 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -2.925 -4.581 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -3.066 -3.607 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -4.524 -4.296 -4.337 1.00 0.00 H new ATOM 1228 N GLU A 176 -4.209 -4.359 -9.942 1.00 0.00 N ATOM 1229 CA GLU A 176 -4.739 -4.460 -11.293 1.00 0.00 C ATOM 1230 C GLU A 176 -3.608 -4.830 -12.250 1.00 0.00 C ATOM 1231 O GLU A 176 -3.727 -5.760 -13.043 1.00 0.00 O ATOM 1232 CB GLU A 176 -5.391 -3.120 -11.669 1.00 0.00 C ATOM 1233 CG GLU A 176 -5.084 -2.610 -13.074 1.00 0.00 C ATOM 1234 CD GLU A 176 -5.815 -3.374 -14.158 1.00 0.00 C ATOM 1235 OE1 GLU A 176 -7.063 -3.396 -14.136 1.00 0.00 O ATOM 1236 OE2 GLU A 176 -5.147 -3.939 -15.049 1.00 0.00 O ATOM 0 H GLU A 176 -4.043 -3.403 -9.628 1.00 0.00 H new ATOM 0 HA GLU A 176 -5.498 -5.240 -11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -6.471 -3.220 -11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -5.071 -2.366 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -5.352 -1.555 -13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -4.011 -2.677 -13.252 1.00 0.00 H new ATOM 1241 N LYS A 177 -2.499 -4.113 -12.135 1.00 0.00 N ATOM 1242 CA LYS A 177 -1.323 -4.353 -12.944 1.00 0.00 C ATOM 1243 C LYS A 177 -0.683 -5.681 -12.594 1.00 0.00 C ATOM 1244 O LYS A 177 -0.217 -6.419 -13.457 1.00 0.00 O ATOM 1245 CB LYS A 177 -0.337 -3.232 -12.691 1.00 0.00 C ATOM 1246 CG LYS A 177 -0.260 -2.237 -13.816 1.00 0.00 C ATOM 1247 CD LYS A 177 -1.582 -1.523 -14.070 1.00 0.00 C ATOM 1248 CE LYS A 177 -2.017 -0.675 -12.888 1.00 0.00 C ATOM 1249 NZ LYS A 177 -1.120 0.492 -12.662 1.00 0.00 N ATOM 0 H LYS A 177 -2.394 -3.345 -11.472 1.00 0.00 H new ATOM 0 HA LYS A 177 -1.610 -4.386 -13.995 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -0.617 -2.712 -11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 177 0.652 -3.659 -12.525 1.00 0.00 H new ATOM 0 HG2 LYS A 177 0.508 -1.498 -13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 177 0.051 -2.749 -14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -1.487 -0.890 -14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -2.354 -2.261 -14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -3.034 -0.320 -13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -2.038 -1.293 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -0.625 0.379 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -0.423 0.548 -13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -1.685 1.365 -12.641 1.00 0.00 H new ATOM 1259 N GLU A 178 -0.631 -5.939 -11.311 1.00 0.00 N ATOM 1260 CA GLU A 178 -0.125 -7.193 -10.785 1.00 0.00 C ATOM 1261 C GLU A 178 -1.213 -8.269 -10.803 1.00 0.00 C ATOM 1262 O GLU A 178 -0.926 -9.448 -10.602 1.00 0.00 O ATOM 1263 CB GLU A 178 0.382 -6.987 -9.361 1.00 0.00 C ATOM 1264 CG GLU A 178 1.427 -5.891 -9.246 1.00 0.00 C ATOM 1265 CD GLU A 178 2.634 -6.112 -10.137 1.00 0.00 C ATOM 1266 OE1 GLU A 178 3.448 -7.004 -9.840 1.00 0.00 O ATOM 1267 OE2 GLU A 178 2.783 -5.373 -11.135 1.00 0.00 O ATOM 0 H GLU A 178 -0.940 -5.284 -10.593 1.00 0.00 H new ATOM 0 HA GLU A 178 0.697 -7.528 -11.417 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -0.461 -6.744 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 178 0.805 -7.922 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 178 0.969 -4.935 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 178 1.758 -5.822 -8.210 1.00 0.00 H new ATOM 1272 N ARG A 179 -2.459 -7.845 -11.049 1.00 0.00 N ATOM 1273 CA ARG A 179 -3.616 -8.733 -11.082 1.00 0.00 C ATOM 1274 C ARG A 179 -3.679 -9.617 -9.831 1.00 0.00 C ATOM 1275 O ARG A 179 -3.609 -10.843 -9.912 1.00 0.00 O ATOM 1276 CB ARG A 179 -3.626 -9.601 -12.339 1.00 0.00 C ATOM 1277 CG ARG A 179 -3.395 -8.849 -13.641 1.00 0.00 C ATOM 1278 CD ARG A 179 -1.950 -8.947 -14.084 1.00 0.00 C ATOM 1279 NE ARG A 179 -1.692 -8.194 -15.310 1.00 0.00 N ATOM 1280 CZ ARG A 179 -0.553 -8.268 -15.995 1.00 0.00 C ATOM 1281 NH1 ARG A 179 0.405 -9.098 -15.599 1.00 0.00 N ATOM 1282 NH2 ARG A 179 -0.375 -7.521 -17.075 1.00 0.00 N ATOM 0 H ARG A 179 -2.689 -6.868 -11.231 1.00 0.00 H new ATOM 0 HA ARG A 179 -4.501 -8.097 -11.101 1.00 0.00 H new ATOM 0 HB2 ARG A 179 -2.858 -10.368 -12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 179 -4.585 -10.116 -12.399 1.00 0.00 H new ATOM 0 HG2 ARG A 179 -4.044 -9.254 -14.417 1.00 0.00 H new ATOM 0 HG3 ARG A 179 -3.668 -7.802 -13.512 1.00 0.00 H new ATOM 0 HD2 ARG A 179 -1.303 -8.575 -13.289 1.00 0.00 H new ATOM 0 HD3 ARG A 179 -1.691 -9.994 -14.242 1.00 0.00 H new ATOM 0 HE ARG A 179 -2.425 -7.578 -15.660 1.00 0.00 H new ATOM 0 HH11 ARG A 179 0.267 -9.678 -14.771 1.00 0.00 H new ATOM 0 HH12 ARG A 179 1.278 -9.156 -16.123 1.00 0.00 H new ATOM 0 HH21 ARG A 179 -1.112 -6.887 -17.384 1.00 0.00 H new ATOM 0 HH22 ARG A 179 0.499 -7.580 -17.598 1.00 0.00 H new ATOM 1293 N ASN A 180 -3.805 -8.976 -8.682 1.00 0.00 N ATOM 1294 CA ASN A 180 -3.854 -9.667 -7.397 1.00 0.00 C ATOM 1295 C ASN A 180 -5.274 -9.630 -6.836 1.00 0.00 C ATOM 1296 O ASN A 180 -6.036 -8.701 -7.111 1.00 0.00 O ATOM 1297 CB ASN A 180 -2.897 -8.979 -6.427 1.00 0.00 C ATOM 1298 CG ASN A 180 -2.758 -9.689 -5.094 1.00 0.00 C ATOM 1299 OD1 ASN A 180 -3.547 -9.466 -4.175 1.00 0.00 O ATOM 1300 ND2 ASN A 180 -1.735 -10.519 -4.971 1.00 0.00 N ATOM 0 H ASN A 180 -3.877 -7.961 -8.609 1.00 0.00 H new ATOM 0 HA ASN A 180 -3.559 -10.708 -7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 180 -1.914 -8.905 -6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 180 -3.244 -7.961 -6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 180 -1.575 -11.004 -4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 180 -1.106 -10.674 -5.759 1.00 0.00 H new ATOM 1306 N LYS A 181 -5.610 -10.640 -6.032 1.00 0.00 N ATOM 1307 CA LYS A 181 -6.962 -10.800 -5.483 1.00 0.00 C ATOM 1308 C LYS A 181 -7.396 -9.645 -4.580 1.00 0.00 C ATOM 1309 O LYS A 181 -8.589 -9.481 -4.328 1.00 0.00 O ATOM 1310 CB LYS A 181 -7.112 -12.122 -4.704 1.00 0.00 C ATOM 1311 CG LYS A 181 -5.816 -12.858 -4.376 1.00 0.00 C ATOM 1312 CD LYS A 181 -4.925 -12.071 -3.429 1.00 0.00 C ATOM 1313 CE LYS A 181 -3.905 -12.967 -2.738 1.00 0.00 C ATOM 1314 NZ LYS A 181 -3.121 -13.795 -3.694 1.00 0.00 N ATOM 0 H LYS A 181 -4.957 -11.369 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 181 -7.615 -10.808 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 181 -7.634 -11.913 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 181 -7.750 -12.791 -5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 181 -6.053 -13.823 -3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 181 -5.272 -13.059 -5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 181 -4.406 -11.289 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 181 -5.540 -11.575 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 181 -3.222 -12.349 -2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 181 -4.421 -13.622 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 181 -2.335 -14.254 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 181 -3.737 -14.522 -4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 181 -2.742 -13.188 -4.449 1.00 0.00 H new ATOM 1324 N PHE A 182 -6.452 -8.853 -4.086 1.00 0.00 N ATOM 1325 CA PHE A 182 -6.794 -7.768 -3.168 1.00 0.00 C ATOM 1326 C PHE A 182 -7.563 -6.654 -3.885 1.00 0.00 C ATOM 1327 O PHE A 182 -8.322 -5.911 -3.260 1.00 0.00 O ATOM 1328 CB PHE A 182 -5.535 -7.196 -2.509 1.00 0.00 C ATOM 1329 CG PHE A 182 -5.824 -6.178 -1.440 1.00 0.00 C ATOM 1330 CD1 PHE A 182 -6.220 -6.583 -0.182 1.00 0.00 C ATOM 1331 CD2 PHE A 182 -5.704 -4.819 -1.695 1.00 0.00 C ATOM 1332 CE1 PHE A 182 -6.491 -5.658 0.807 1.00 0.00 C ATOM 1333 CE2 PHE A 182 -5.972 -3.889 -0.710 1.00 0.00 C ATOM 1334 CZ PHE A 182 -6.367 -4.310 0.543 1.00 0.00 C ATOM 0 H PHE A 182 -5.458 -8.937 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 182 -7.438 -8.185 -2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 182 -4.959 -8.013 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 182 -4.910 -6.738 -3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 182 -6.319 -7.637 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 182 -5.397 -4.485 -2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -6.800 -5.990 1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -5.873 -2.834 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 182 -6.579 -3.586 1.316 1.00 0.00 H new ATOM 1343 N SER A 183 -7.389 -6.570 -5.202 1.00 0.00 N ATOM 1344 CA SER A 183 -7.996 -5.505 -6.002 1.00 0.00 C ATOM 1345 C SER A 183 -9.521 -5.514 -5.893 1.00 0.00 C ATOM 1346 O SER A 183 -10.168 -4.472 -6.007 1.00 0.00 O ATOM 1347 CB SER A 183 -7.574 -5.646 -7.467 1.00 0.00 C ATOM 1348 OG SER A 183 -7.884 -6.937 -7.967 1.00 0.00 O ATOM 0 H SER A 183 -6.829 -7.230 -5.742 1.00 0.00 H new ATOM 0 HA SER A 183 -7.641 -4.552 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 183 -8.078 -4.889 -8.068 1.00 0.00 H new ATOM 0 HB3 SER A 183 -6.503 -5.465 -7.559 1.00 0.00 H new ATOM 0 HG SER A 183 -7.110 -7.527 -7.851 1.00 0.00 H new ATOM 1353 N GLU A 184 -10.083 -6.693 -5.664 1.00 0.00 N ATOM 1354 CA GLU A 184 -11.529 -6.864 -5.625 1.00 0.00 C ATOM 1355 C GLU A 184 -12.114 -6.368 -4.307 1.00 0.00 C ATOM 1356 O GLU A 184 -13.304 -6.061 -4.222 1.00 0.00 O ATOM 1357 CB GLU A 184 -11.887 -8.334 -5.829 1.00 0.00 C ATOM 1358 CG GLU A 184 -11.524 -8.849 -7.209 1.00 0.00 C ATOM 1359 CD GLU A 184 -12.398 -8.266 -8.299 1.00 0.00 C ATOM 1360 OE1 GLU A 184 -13.526 -8.760 -8.492 1.00 0.00 O ATOM 1361 OE2 GLU A 184 -11.963 -7.308 -8.967 1.00 0.00 O ATOM 0 H GLU A 184 -9.555 -7.551 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 184 -11.958 -6.268 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -11.374 -8.934 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -12.957 -8.467 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -10.481 -8.610 -7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -11.611 -9.935 -7.221 1.00 0.00 H new ATOM 1366 N LEU A 185 -11.277 -6.288 -3.282 1.00 0.00 N ATOM 1367 CA LEU A 185 -11.743 -5.928 -1.952 1.00 0.00 C ATOM 1368 C LEU A 185 -11.562 -4.442 -1.691 1.00 0.00 C ATOM 1369 O LEU A 185 -12.356 -3.826 -0.978 1.00 0.00 O ATOM 1370 CB LEU A 185 -10.975 -6.696 -0.888 1.00 0.00 C ATOM 1371 CG LEU A 185 -10.599 -8.137 -1.214 1.00 0.00 C ATOM 1372 CD1 LEU A 185 -9.769 -8.711 -0.081 1.00 0.00 C ATOM 1373 CD2 LEU A 185 -11.840 -8.979 -1.445 1.00 0.00 C ATOM 0 H LEU A 185 -10.275 -6.467 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 185 -12.802 -6.181 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 185 -10.059 -6.148 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 185 -11.571 -6.699 0.025 1.00 0.00 H new ATOM 0 HG LEU A 185 -10.011 -8.151 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 185 -9.500 -9.741 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 185 -8.863 -8.118 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 185 -10.348 -8.686 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 185 -11.547 -10.003 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 185 -12.457 -8.972 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 185 -12.409 -8.568 -2.279 1.00 0.00 H new ATOM 1384 N TRP A 186 -10.501 -3.882 -2.252 1.00 0.00 N ATOM 1385 CA TRP A 186 -10.142 -2.491 -2.002 1.00 0.00 C ATOM 1386 C TRP A 186 -11.173 -1.556 -2.634 1.00 0.00 C ATOM 1387 O TRP A 186 -11.504 -1.707 -3.808 1.00 0.00 O ATOM 1388 CB TRP A 186 -8.745 -2.209 -2.567 1.00 0.00 C ATOM 1389 CG TRP A 186 -8.171 -0.919 -2.080 1.00 0.00 C ATOM 1390 CD1 TRP A 186 -7.718 0.126 -2.828 1.00 0.00 C ATOM 1391 CD2 TRP A 186 -8.007 -0.543 -0.720 1.00 0.00 C ATOM 1392 NE1 TRP A 186 -7.287 1.138 -2.005 1.00 0.00 N ATOM 1393 CE2 TRP A 186 -7.455 0.751 -0.702 1.00 0.00 C ATOM 1394 CE3 TRP A 186 -8.277 -1.180 0.486 1.00 0.00 C ATOM 1395 CZ2 TRP A 186 -7.173 1.415 0.491 1.00 0.00 C ATOM 1396 CZ3 TRP A 186 -8.003 -0.522 1.655 1.00 0.00 C ATOM 1397 CH2 TRP A 186 -7.456 0.760 1.647 1.00 0.00 C ATOM 0 H TRP A 186 -9.870 -4.371 -2.887 1.00 0.00 H new ATOM 0 HA TRP A 186 -10.131 -2.312 -0.927 1.00 0.00 H new ATOM 0 HB2 TRP A 186 -8.076 -3.025 -2.293 1.00 0.00 H new ATOM 0 HB3 TRP A 186 -8.796 -2.190 -3.656 1.00 0.00 H new ATOM 0 HD1 TRP A 186 -7.700 0.154 -3.907 1.00 0.00 H new ATOM 0 HE1 TRP A 186 -6.904 2.032 -2.314 1.00 0.00 H new ATOM 0 HE3 TRP A 186 -8.695 -2.176 0.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 186 -6.748 2.408 0.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 186 -8.214 -1.004 2.598 1.00 0.00 H new ATOM 0 HH2 TRP A 186 -7.251 1.248 2.589 1.00 0.00 H new ATOM 1407 N ILE A 187 -11.685 -0.597 -1.860 1.00 0.00 N ATOM 1408 CA ILE A 187 -12.756 0.271 -2.354 1.00 0.00 C ATOM 1409 C ILE A 187 -12.261 1.696 -2.648 1.00 0.00 C ATOM 1410 O ILE A 187 -12.584 2.641 -1.927 1.00 0.00 O ATOM 1411 CB ILE A 187 -13.927 0.337 -1.346 1.00 0.00 C ATOM 1412 CG1 ILE A 187 -14.264 -1.062 -0.828 1.00 0.00 C ATOM 1413 CG2 ILE A 187 -15.158 0.956 -1.990 1.00 0.00 C ATOM 1414 CD1 ILE A 187 -15.471 -1.089 0.078 1.00 0.00 C ATOM 0 H ILE A 187 -11.382 -0.403 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 187 -13.103 -0.171 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 187 -13.617 0.963 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 187 -14.440 -1.723 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 187 -13.404 -1.459 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 187 -15.969 0.993 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 187 -14.924 1.967 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 187 -15.464 0.353 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 187 -15.654 -2.111 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 187 -15.290 -0.453 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 187 -16.342 -0.722 -0.465 1.00 0.00 H new ATOM 1425 N VAL A 188 -11.485 1.851 -3.711 1.00 0.00 N ATOM 1426 CA VAL A 188 -11.013 3.170 -4.126 1.00 0.00 C ATOM 1427 C VAL A 188 -11.567 3.487 -5.517 1.00 0.00 C ATOM 1428 O VAL A 188 -11.857 2.577 -6.296 1.00 0.00 O ATOM 1429 CB VAL A 188 -9.462 3.245 -4.157 1.00 0.00 C ATOM 1430 CG1 VAL A 188 -8.886 2.429 -5.306 1.00 0.00 C ATOM 1431 CG2 VAL A 188 -9.001 4.691 -4.240 1.00 0.00 C ATOM 0 H VAL A 188 -11.168 1.083 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 188 -11.367 3.900 -3.398 1.00 0.00 H new ATOM 0 HB VAL A 188 -9.089 2.813 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 188 -7.799 2.505 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 188 -9.178 1.385 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 188 -9.268 2.812 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 188 -7.912 4.725 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 188 -9.396 5.147 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 188 -9.365 5.239 -3.371 1.00 0.00 H new