USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 480 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 156 THR OG1 : rot 80:sc= -1.03 USER MOD Set 1.2: A 214 ASN : amide:sc= -1.8 K(o=-2.8,f=1) USER MOD Single : A 153 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 154 MET CE :methyl 163:sc= 0 (180deg=-0.386) USER MOD Single : A 157 LYS NZ :NH3+ 147:sc= -0.223 (180deg=-1.69) USER MOD Single : A 160 GLN : amide:sc= -0.0279 K(o=-0.028,f=-3.8) USER MOD Single : A 166 ASN : amide:sc= -0.0477 X(o=-0.048,f=-0.24) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 86:sc= 0.00713 USER MOD Single : A 185 ASN : amide:sc= -2.93 X(o=-2.9,f=-2.7!) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc= -0.0012 X(o=-0.0012,f=0) USER MOD Single : A 195 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.25) USER MOD Single : A 197 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.2!) USER MOD Single : A 198 ASN : amide:sc= -0.795 K(o=-0.79,f=-2.3) USER MOD Single : A 205 SER OG : rot -139:sc= 0.566 USER MOD Single : A 206 ASN : amide:sc= -0.445 K(o=-0.45,f=-3.1!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= 0.115 X(o=0.12,f=0) USER MOD Single : A 213 SER OG : rot -167:sc= -2.71! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -18.244 11.087 3.394 1.00 0.00 N ATOM 2 CA HIS A 153 -17.377 11.445 2.242 1.00 0.00 C ATOM 3 C HIS A 153 -16.160 10.530 2.161 1.00 0.00 C ATOM 4 O HIS A 153 -15.211 10.674 2.930 1.00 0.00 O ATOM 5 CB HIS A 153 -16.931 12.901 2.402 1.00 0.00 C ATOM 6 CG HIS A 153 -16.860 13.650 1.108 1.00 0.00 C ATOM 7 ND1 HIS A 153 -17.060 15.011 1.015 1.00 0.00 N ATOM 8 CD2 HIS A 153 -16.606 13.222 -0.151 1.00 0.00 C ATOM 9 CE1 HIS A 153 -16.935 15.388 -0.247 1.00 0.00 C ATOM 10 NE2 HIS A 153 -16.659 14.321 -0.973 1.00 0.00 N ATOM 0 HA HIS A 153 -17.942 11.322 1.318 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -17.622 13.413 3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -15.951 12.922 2.879 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -16.400 12.206 -0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -17.041 16.396 -0.619 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -16.509 14.314 -1.982 1.00 0.00 H new ATOM 21 N MET A 154 -16.196 9.589 1.224 1.00 0.00 N ATOM 22 CA MET A 154 -15.095 8.648 1.041 1.00 0.00 C ATOM 23 C MET A 154 -14.296 8.984 -0.213 1.00 0.00 C ATOM 24 O MET A 154 -14.621 9.924 -0.936 1.00 0.00 O ATOM 25 CB MET A 154 -15.629 7.217 0.953 1.00 0.00 C ATOM 26 CG MET A 154 -15.739 6.525 2.300 1.00 0.00 C ATOM 27 SD MET A 154 -17.099 5.343 2.367 1.00 0.00 S ATOM 28 CE MET A 154 -16.818 4.419 0.859 1.00 0.00 C ATOM 0 H MET A 154 -16.975 9.457 0.579 1.00 0.00 H new ATOM 0 HA MET A 154 -14.433 8.728 1.903 1.00 0.00 H new ATOM 0 HB2 MET A 154 -16.611 7.233 0.481 1.00 0.00 H new ATOM 0 HB3 MET A 154 -14.974 6.633 0.306 1.00 0.00 H new ATOM 0 HG2 MET A 154 -14.804 6.009 2.516 1.00 0.00 H new ATOM 0 HG3 MET A 154 -15.876 7.275 3.079 1.00 0.00 H new ATOM 0 HE1 MET A 154 -17.370 3.480 0.899 1.00 0.00 H new ATOM 0 HE2 MET A 154 -17.159 5.004 0.005 1.00 0.00 H new ATOM 0 HE3 MET A 154 -15.754 4.209 0.754 1.00 0.00 H new ATOM 38 N GLU A 155 -13.247 8.207 -0.465 1.00 0.00 N ATOM 39 CA GLU A 155 -12.400 8.421 -1.632 1.00 0.00 C ATOM 40 C GLU A 155 -11.497 7.217 -1.877 1.00 0.00 C ATOM 41 O GLU A 155 -10.602 6.928 -1.085 1.00 0.00 O ATOM 42 CB GLU A 155 -11.551 9.681 -1.448 1.00 0.00 C ATOM 43 CG GLU A 155 -11.335 10.462 -2.734 1.00 0.00 C ATOM 44 CD GLU A 155 -11.185 11.952 -2.491 1.00 0.00 C ATOM 45 OE1 GLU A 155 -10.349 12.334 -1.647 1.00 0.00 O ATOM 46 OE2 GLU A 155 -11.903 12.735 -3.148 1.00 0.00 O ATOM 0 H GLU A 155 -12.964 7.424 0.124 1.00 0.00 H new ATOM 0 HA GLU A 155 -13.046 8.550 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -12.032 10.329 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -10.582 9.399 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -10.443 10.088 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -12.176 10.290 -3.406 1.00 0.00 H new ATOM 53 N THR A 156 -11.739 6.519 -2.982 1.00 0.00 N ATOM 54 CA THR A 156 -10.948 5.344 -3.333 1.00 0.00 C ATOM 55 C THR A 156 -9.528 5.743 -3.720 1.00 0.00 C ATOM 56 O THR A 156 -9.301 6.318 -4.784 1.00 0.00 O ATOM 57 CB THR A 156 -11.607 4.583 -4.483 1.00 0.00 C ATOM 58 OG1 THR A 156 -10.738 3.586 -4.988 1.00 0.00 O ATOM 59 CG2 THR A 156 -12.006 5.473 -5.639 1.00 0.00 C ATOM 0 H THR A 156 -12.476 6.746 -3.650 1.00 0.00 H new ATOM 0 HA THR A 156 -10.900 4.695 -2.459 1.00 0.00 H new ATOM 0 HB THR A 156 -12.509 4.142 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 156 -10.768 2.800 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 156 -12.468 4.869 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 156 -12.717 6.223 -5.292 1.00 0.00 H new ATOM 0 HG23 THR A 156 -11.121 5.969 -6.039 1.00 0.00 H new ATOM 67 N LYS A 157 -8.573 5.430 -2.850 1.00 0.00 N ATOM 68 CA LYS A 157 -7.173 5.755 -3.104 1.00 0.00 C ATOM 69 C LYS A 157 -6.452 4.577 -3.751 1.00 0.00 C ATOM 70 O LYS A 157 -6.842 3.422 -3.571 1.00 0.00 O ATOM 71 CB LYS A 157 -6.474 6.147 -1.801 1.00 0.00 C ATOM 72 CG LYS A 157 -6.534 7.635 -1.504 1.00 0.00 C ATOM 73 CD LYS A 157 -7.906 8.048 -0.998 1.00 0.00 C ATOM 74 CE LYS A 157 -8.262 7.333 0.295 1.00 0.00 C ATOM 75 NZ LYS A 157 -7.135 7.350 1.267 1.00 0.00 N ATOM 0 H LYS A 157 -8.742 4.953 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 157 -7.139 6.600 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -6.930 5.601 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.430 5.836 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.779 7.889 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -6.294 8.197 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -7.926 9.126 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -8.657 7.826 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -9.135 7.807 0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -8.537 6.301 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -7.512 7.392 2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.566 6.487 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.538 8.183 1.092 1.00 0.00 H new ATOM 89 N PHE A 158 -5.403 4.877 -4.508 1.00 0.00 N ATOM 90 CA PHE A 158 -4.628 3.844 -5.190 1.00 0.00 C ATOM 91 C PHE A 158 -3.142 3.988 -4.874 1.00 0.00 C ATOM 92 O PHE A 158 -2.701 5.032 -4.395 1.00 0.00 O ATOM 93 CB PHE A 158 -4.852 3.920 -6.706 1.00 0.00 C ATOM 94 CG PHE A 158 -6.081 4.691 -7.099 1.00 0.00 C ATOM 95 CD1 PHE A 158 -7.337 4.278 -6.678 1.00 0.00 C ATOM 96 CD2 PHE A 158 -5.982 5.828 -7.885 1.00 0.00 C ATOM 97 CE1 PHE A 158 -8.470 4.984 -7.038 1.00 0.00 C ATOM 98 CE2 PHE A 158 -7.111 6.538 -8.245 1.00 0.00 C ATOM 99 CZ PHE A 158 -8.356 6.115 -7.820 1.00 0.00 C ATOM 0 H PHE A 158 -5.068 5.828 -4.666 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.967 2.872 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -3.981 4.382 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.926 2.908 -7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -7.431 3.396 -6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -5.011 6.163 -8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -9.443 4.651 -6.708 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -7.021 7.423 -8.858 1.00 0.00 H new ATOM 0 HZ PHE A 158 -9.240 6.670 -8.100 1.00 0.00 H new ATOM 109 N VAL A 159 -2.376 2.935 -5.145 1.00 0.00 N ATOM 110 CA VAL A 159 -0.940 2.951 -4.887 1.00 0.00 C ATOM 111 C VAL A 159 -0.238 1.781 -5.566 1.00 0.00 C ATOM 112 O VAL A 159 -0.571 0.620 -5.330 1.00 0.00 O ATOM 113 CB VAL A 159 -0.627 2.914 -3.377 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.598 4.322 -2.802 1.00 0.00 C ATOM 115 CG2 VAL A 159 -1.639 2.051 -2.635 1.00 0.00 C ATOM 0 H VAL A 159 -2.725 2.062 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 159 -0.566 3.887 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 159 0.359 2.469 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.376 4.275 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 159 0.171 4.906 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.569 4.795 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -1.398 2.040 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -2.639 2.461 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -1.605 1.034 -3.025 1.00 0.00 H new ATOM 125 N GLN A 160 0.744 2.099 -6.401 1.00 0.00 N ATOM 126 CA GLN A 160 1.510 1.084 -7.112 1.00 0.00 C ATOM 127 C GLN A 160 2.867 0.884 -6.446 1.00 0.00 C ATOM 128 O GLN A 160 3.632 1.832 -6.276 1.00 0.00 O ATOM 129 CB GLN A 160 1.701 1.485 -8.576 1.00 0.00 C ATOM 130 CG GLN A 160 2.116 0.332 -9.474 1.00 0.00 C ATOM 131 CD GLN A 160 1.602 0.481 -10.892 1.00 0.00 C ATOM 132 OE1 GLN A 160 1.236 1.577 -11.320 1.00 0.00 O ATOM 133 NE2 GLN A 160 1.571 -0.621 -11.631 1.00 0.00 N ATOM 0 H GLN A 160 1.029 3.057 -6.603 1.00 0.00 H new ATOM 0 HA GLN A 160 0.956 0.146 -7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.770 1.910 -8.952 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.456 2.269 -8.634 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.204 0.264 -9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 160 1.745 -0.603 -9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 160 1.884 -1.508 -11.237 1.00 0.00 H new ATOM 0 HE22 GLN A 160 1.235 -0.581 -12.593 1.00 0.00 H new ATOM 142 N ALA A 161 3.153 -0.354 -6.061 1.00 0.00 N ATOM 143 CA ALA A 161 4.409 -0.678 -5.400 1.00 0.00 C ATOM 144 C ALA A 161 5.578 -0.673 -6.377 1.00 0.00 C ATOM 145 O ALA A 161 5.423 -1.002 -7.551 1.00 0.00 O ATOM 146 CB ALA A 161 4.302 -2.033 -4.718 1.00 0.00 C ATOM 0 H ALA A 161 2.530 -1.150 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 161 4.601 0.091 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.246 -2.268 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.503 -2.005 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 161 4.080 -2.798 -5.462 1.00 0.00 H new ATOM 152 N LEU A 162 6.753 -0.307 -5.875 1.00 0.00 N ATOM 153 CA LEU A 162 7.959 -0.274 -6.698 1.00 0.00 C ATOM 154 C LEU A 162 8.997 -1.268 -6.180 1.00 0.00 C ATOM 155 O LEU A 162 10.167 -1.213 -6.560 1.00 0.00 O ATOM 156 CB LEU A 162 8.554 1.133 -6.732 1.00 0.00 C ATOM 157 CG LEU A 162 8.636 1.826 -5.373 1.00 0.00 C ATOM 158 CD1 LEU A 162 10.061 2.269 -5.077 1.00 0.00 C ATOM 159 CD2 LEU A 162 7.685 3.011 -5.324 1.00 0.00 C ATOM 0 H LEU A 162 6.897 -0.029 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 162 7.679 -0.559 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.556 1.079 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 162 7.956 1.749 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 162 8.338 1.112 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 162 10.095 2.760 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.718 1.399 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.393 2.966 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 162 7.755 3.494 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 162 7.953 3.725 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.664 2.665 -5.485 1.00 0.00 H new ATOM 171 N PHE A 163 8.561 -2.180 -5.309 1.00 0.00 N ATOM 172 CA PHE A 163 9.449 -3.186 -4.740 1.00 0.00 C ATOM 173 C PHE A 163 8.653 -4.237 -3.972 1.00 0.00 C ATOM 174 O PHE A 163 7.691 -3.915 -3.277 1.00 0.00 O ATOM 175 CB PHE A 163 10.475 -2.527 -3.816 1.00 0.00 C ATOM 176 CG PHE A 163 11.887 -2.975 -4.070 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.680 -2.318 -4.996 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.420 -4.051 -3.380 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.979 -2.728 -5.232 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.717 -4.466 -3.611 1.00 0.00 C ATOM 181 CZ PHE A 163 14.498 -3.804 -4.538 1.00 0.00 C ATOM 0 H PHE A 163 7.596 -2.240 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 163 9.974 -3.679 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.418 -1.445 -3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 163 10.213 -2.746 -2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 163 12.279 -1.476 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 163 11.815 -4.572 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 163 14.587 -2.208 -5.958 1.00 0.00 H new ATOM 0 HE2 PHE A 163 14.120 -5.308 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.512 -4.127 -4.720 1.00 0.00 H new ATOM 191 N ASP A 164 9.059 -5.496 -4.105 1.00 0.00 N ATOM 192 CA ASP A 164 8.382 -6.594 -3.425 1.00 0.00 C ATOM 193 C ASP A 164 8.529 -6.470 -1.911 1.00 0.00 C ATOM 194 O ASP A 164 9.561 -6.019 -1.414 1.00 0.00 O ATOM 195 CB ASP A 164 8.948 -7.938 -3.897 1.00 0.00 C ATOM 196 CG ASP A 164 7.886 -8.827 -4.513 1.00 0.00 C ATOM 197 OD1 ASP A 164 7.182 -9.524 -3.751 1.00 0.00 O ATOM 198 OD2 ASP A 164 7.761 -8.829 -5.754 1.00 0.00 O ATOM 0 H ASP A 164 9.854 -5.781 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 164 7.322 -6.545 -3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.738 -7.760 -4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 164 9.405 -8.454 -3.052 1.00 0.00 H new ATOM 203 N PHE A 165 7.493 -6.873 -1.180 1.00 0.00 N ATOM 204 CA PHE A 165 7.515 -6.804 0.277 1.00 0.00 C ATOM 205 C PHE A 165 7.013 -8.106 0.892 1.00 0.00 C ATOM 206 O PHE A 165 5.834 -8.444 0.773 1.00 0.00 O ATOM 207 CB PHE A 165 6.662 -5.633 0.766 1.00 0.00 C ATOM 208 CG PHE A 165 7.102 -5.086 2.095 1.00 0.00 C ATOM 209 CD1 PHE A 165 8.381 -4.583 2.264 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.232 -5.074 3.174 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.787 -4.079 3.484 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.632 -4.572 4.399 1.00 0.00 C ATOM 213 CZ PHE A 165 7.913 -4.074 4.553 1.00 0.00 C ATOM 0 H PHE A 165 6.630 -7.250 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 165 8.547 -6.649 0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 165 6.695 -4.835 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.624 -5.956 0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 165 9.069 -4.585 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.231 -5.461 3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.787 -3.689 3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 165 5.946 -4.569 5.233 1.00 0.00 H new ATOM 0 HZ PHE A 165 8.229 -3.682 5.508 1.00 0.00 H new ATOM 223 N ASN A 166 7.912 -8.829 1.549 1.00 0.00 N ATOM 224 CA ASN A 166 7.564 -10.092 2.186 1.00 0.00 C ATOM 225 C ASN A 166 7.589 -9.957 3.706 1.00 0.00 C ATOM 226 O ASN A 166 8.606 -10.227 4.345 1.00 0.00 O ATOM 227 CB ASN A 166 8.526 -11.200 1.744 1.00 0.00 C ATOM 228 CG ASN A 166 9.935 -10.694 1.497 1.00 0.00 C ATOM 229 OD1 ASN A 166 10.302 -10.369 0.368 1.00 0.00 O ATOM 230 ND2 ASN A 166 10.734 -10.628 2.557 1.00 0.00 N ATOM 0 H ASN A 166 8.890 -8.561 1.654 1.00 0.00 H new ATOM 0 HA ASN A 166 6.553 -10.358 1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 166 8.553 -11.977 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 166 8.146 -11.662 0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 166 11.693 -10.298 2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 166 10.388 -10.908 3.475 1.00 0.00 H new ATOM 237 N PRO A 167 6.464 -9.534 4.307 1.00 0.00 N ATOM 238 CA PRO A 167 6.362 -9.363 5.757 1.00 0.00 C ATOM 239 C PRO A 167 6.158 -10.685 6.486 1.00 0.00 C ATOM 240 O PRO A 167 5.141 -11.355 6.307 1.00 0.00 O ATOM 241 CB PRO A 167 5.135 -8.471 5.911 1.00 0.00 C ATOM 242 CG PRO A 167 4.277 -8.800 4.739 1.00 0.00 C ATOM 243 CD PRO A 167 5.204 -9.189 3.622 1.00 0.00 C ATOM 0 HA PRO A 167 7.272 -8.945 6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.617 -8.670 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.411 -7.416 5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.593 -9.615 4.976 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.666 -7.944 4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.813 -10.034 3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.345 -8.370 2.917 1.00 0.00 H new ATOM 251 N GLN A 168 7.129 -11.052 7.314 1.00 0.00 N ATOM 252 CA GLN A 168 7.058 -12.292 8.076 1.00 0.00 C ATOM 253 C GLN A 168 6.192 -12.115 9.321 1.00 0.00 C ATOM 254 O GLN A 168 5.616 -13.078 9.829 1.00 0.00 O ATOM 255 CB GLN A 168 8.461 -12.753 8.477 1.00 0.00 C ATOM 256 CG GLN A 168 9.414 -12.889 7.302 1.00 0.00 C ATOM 257 CD GLN A 168 10.697 -13.605 7.673 1.00 0.00 C ATOM 258 OE1 GLN A 168 10.953 -14.722 7.222 1.00 0.00 O ATOM 259 NE2 GLN A 168 11.514 -12.964 8.501 1.00 0.00 N ATOM 0 H GLN A 168 7.976 -10.507 7.475 1.00 0.00 H new ATOM 0 HA GLN A 168 6.603 -13.053 7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.877 -12.043 9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.387 -13.713 8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.918 -13.433 6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 168 9.654 -11.898 6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 168 11.263 -12.039 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 168 12.393 -13.396 8.787 1.00 0.00 H new ATOM 268 N GLU A 169 6.105 -10.882 9.808 1.00 0.00 N ATOM 269 CA GLU A 169 5.311 -10.580 10.993 1.00 0.00 C ATOM 270 C GLU A 169 3.926 -10.074 10.602 1.00 0.00 C ATOM 271 O GLU A 169 3.649 -9.839 9.427 1.00 0.00 O ATOM 272 CB GLU A 169 6.022 -9.539 11.859 1.00 0.00 C ATOM 273 CG GLU A 169 7.440 -9.934 12.240 1.00 0.00 C ATOM 274 CD GLU A 169 8.030 -9.023 13.300 1.00 0.00 C ATOM 275 OE1 GLU A 169 7.710 -9.214 14.493 1.00 0.00 O ATOM 276 OE2 GLU A 169 8.815 -8.122 12.939 1.00 0.00 O ATOM 0 H GLU A 169 6.575 -10.074 9.400 1.00 0.00 H new ATOM 0 HA GLU A 169 5.195 -11.499 11.567 1.00 0.00 H new ATOM 0 HB2 GLU A 169 6.049 -8.590 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.442 -9.376 12.767 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.442 -10.961 12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 169 8.072 -9.910 11.352 1.00 0.00 H new ATOM 283 N SER A 170 3.060 -9.909 11.598 1.00 0.00 N ATOM 284 CA SER A 170 1.704 -9.432 11.358 1.00 0.00 C ATOM 285 C SER A 170 1.641 -7.907 11.433 1.00 0.00 C ATOM 286 O SER A 170 2.418 -7.279 12.152 1.00 0.00 O ATOM 287 CB SER A 170 0.738 -10.042 12.373 1.00 0.00 C ATOM 288 OG SER A 170 1.075 -9.657 13.696 1.00 0.00 O ATOM 0 H SER A 170 3.274 -10.099 12.577 1.00 0.00 H new ATOM 0 HA SER A 170 1.410 -9.742 10.355 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.280 -9.724 12.147 1.00 0.00 H new ATOM 0 HB3 SER A 170 0.758 -11.129 12.291 1.00 0.00 H new ATOM 0 HG SER A 170 0.441 -10.059 14.325 1.00 0.00 H new ATOM 294 N GLY A 171 0.712 -7.323 10.685 1.00 0.00 N ATOM 295 CA GLY A 171 0.563 -5.880 10.678 1.00 0.00 C ATOM 296 C GLY A 171 0.964 -5.264 9.352 1.00 0.00 C ATOM 297 O GLY A 171 0.364 -4.286 8.908 1.00 0.00 O ATOM 0 H GLY A 171 0.059 -7.824 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.474 -5.623 10.896 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.172 -5.451 11.474 1.00 0.00 H new ATOM 301 N GLU A 172 1.980 -5.838 8.722 1.00 0.00 N ATOM 302 CA GLU A 172 2.463 -5.343 7.437 1.00 0.00 C ATOM 303 C GLU A 172 1.796 -6.086 6.286 1.00 0.00 C ATOM 304 O GLU A 172 1.703 -7.313 6.298 1.00 0.00 O ATOM 305 CB GLU A 172 3.982 -5.493 7.347 1.00 0.00 C ATOM 306 CG GLU A 172 4.715 -5.019 8.591 1.00 0.00 C ATOM 307 CD GLU A 172 6.222 -5.085 8.441 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.699 -5.784 7.523 1.00 0.00 O ATOM 309 OE2 GLU A 172 6.927 -4.434 9.243 1.00 0.00 O ATOM 0 H GLU A 172 2.487 -6.648 9.079 1.00 0.00 H new ATOM 0 HA GLU A 172 2.206 -4.286 7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.225 -6.540 7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.344 -4.931 6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 172 4.420 -3.993 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.411 -5.629 9.442 1.00 0.00 H new ATOM 316 N LEU A 173 1.328 -5.337 5.290 1.00 0.00 N ATOM 317 CA LEU A 173 0.666 -5.938 4.139 1.00 0.00 C ATOM 318 C LEU A 173 1.686 -6.584 3.201 1.00 0.00 C ATOM 319 O LEU A 173 2.765 -6.037 2.971 1.00 0.00 O ATOM 320 CB LEU A 173 -0.176 -4.884 3.393 1.00 0.00 C ATOM 321 CG LEU A 173 0.061 -4.763 1.886 1.00 0.00 C ATOM 322 CD1 LEU A 173 -0.684 -5.859 1.141 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.370 -3.392 1.389 1.00 0.00 C ATOM 0 H LEU A 173 1.395 -4.320 5.258 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.003 -6.721 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.230 -5.112 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.014 -3.912 3.847 1.00 0.00 H new ATOM 0 HG LEU A 173 1.127 -4.880 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -0.505 -5.758 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.330 -6.833 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -1.752 -5.772 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.195 -3.323 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.431 -3.248 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 173 0.206 -2.622 1.901 1.00 0.00 H new ATOM 335 N ALA A 174 1.333 -7.740 2.651 1.00 0.00 N ATOM 336 CA ALA A 174 2.212 -8.447 1.727 1.00 0.00 C ATOM 337 C ALA A 174 1.825 -8.130 0.287 1.00 0.00 C ATOM 338 O ALA A 174 0.732 -8.475 -0.161 1.00 0.00 O ATOM 339 CB ALA A 174 2.152 -9.947 1.977 1.00 0.00 C ATOM 0 H ALA A 174 0.444 -8.208 2.829 1.00 0.00 H new ATOM 0 HA ALA A 174 3.236 -8.112 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.814 -10.459 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 174 2.468 -10.159 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 174 1.131 -10.299 1.833 1.00 0.00 H new ATOM 345 N PHE A 175 2.717 -7.457 -0.432 1.00 0.00 N ATOM 346 CA PHE A 175 2.449 -7.084 -1.815 1.00 0.00 C ATOM 347 C PHE A 175 3.631 -7.405 -2.722 1.00 0.00 C ATOM 348 O PHE A 175 4.642 -7.950 -2.277 1.00 0.00 O ATOM 349 CB PHE A 175 2.114 -5.594 -1.902 1.00 0.00 C ATOM 350 CG PHE A 175 3.119 -4.704 -1.227 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.292 -4.742 0.147 1.00 0.00 C ATOM 352 CD2 PHE A 175 3.890 -3.823 -1.968 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.211 -3.920 0.769 1.00 0.00 C ATOM 354 CE2 PHE A 175 4.814 -2.998 -1.353 1.00 0.00 C ATOM 355 CZ PHE A 175 4.974 -3.048 0.018 1.00 0.00 C ATOM 0 H PHE A 175 3.628 -7.160 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 175 1.595 -7.669 -2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 175 2.038 -5.309 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 175 1.135 -5.425 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.700 -5.424 0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.768 -3.780 -3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.333 -3.959 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.409 -2.317 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.695 -2.406 0.502 1.00 0.00 H new ATOM 365 N LYS A 176 3.492 -7.065 -3.999 1.00 0.00 N ATOM 366 CA LYS A 176 4.539 -7.314 -4.981 1.00 0.00 C ATOM 367 C LYS A 176 4.906 -6.030 -5.718 1.00 0.00 C ATOM 368 O LYS A 176 4.418 -4.950 -5.383 1.00 0.00 O ATOM 369 CB LYS A 176 4.084 -8.380 -5.981 1.00 0.00 C ATOM 370 CG LYS A 176 5.142 -9.433 -6.271 1.00 0.00 C ATOM 371 CD LYS A 176 4.532 -10.675 -6.902 1.00 0.00 C ATOM 372 CE LYS A 176 5.603 -11.658 -7.344 1.00 0.00 C ATOM 373 NZ LYS A 176 5.979 -12.599 -6.253 1.00 0.00 N ATOM 0 H LYS A 176 2.660 -6.614 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 176 5.422 -7.675 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 176 3.191 -8.871 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 176 3.802 -7.894 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 176 5.897 -9.018 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 176 5.649 -9.705 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 176 3.866 -11.158 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 176 3.924 -10.387 -7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 176 5.244 -12.224 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 176 6.486 -11.109 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 6.712 -13.253 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 6.346 -12.061 -5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 5.142 -13.141 -5.958 1.00 0.00 H new ATOM 387 N ARG A 177 5.765 -6.153 -6.721 1.00 0.00 N ATOM 388 CA ARG A 177 6.196 -5.000 -7.504 1.00 0.00 C ATOM 389 C ARG A 177 5.111 -4.557 -8.479 1.00 0.00 C ATOM 390 O ARG A 177 4.436 -5.385 -9.093 1.00 0.00 O ATOM 391 CB ARG A 177 7.483 -5.326 -8.264 1.00 0.00 C ATOM 392 CG ARG A 177 8.669 -4.473 -7.844 1.00 0.00 C ATOM 393 CD ARG A 177 9.969 -5.263 -7.889 1.00 0.00 C ATOM 394 NE ARG A 177 10.838 -4.825 -8.976 1.00 0.00 N ATOM 395 CZ ARG A 177 10.688 -5.198 -10.245 1.00 0.00 C ATOM 396 NH1 ARG A 177 9.701 -6.017 -10.590 1.00 0.00 N ATOM 397 NH2 ARG A 177 11.525 -4.751 -11.172 1.00 0.00 N ATOM 0 H ARG A 177 6.178 -7.039 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 177 6.387 -4.179 -6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.729 -6.377 -8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 177 7.309 -5.191 -9.332 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.746 -3.607 -8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.507 -4.095 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 177 10.493 -5.153 -6.939 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.745 -6.323 -8.009 1.00 0.00 H new ATOM 0 HE ARG A 177 11.607 -4.195 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 177 9.054 -6.363 -9.881 1.00 0.00 H new ATOM 0 HH12 ARG A 177 9.590 -6.300 -11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 177 12.284 -4.121 -10.913 1.00 0.00 H new ATOM 0 HH22 ARG A 177 11.409 -5.037 -12.144 1.00 0.00 H new ATOM 411 N GLY A 178 4.953 -3.246 -8.618 1.00 0.00 N ATOM 412 CA GLY A 178 3.955 -2.701 -9.521 1.00 0.00 C ATOM 413 C GLY A 178 2.557 -3.207 -9.226 1.00 0.00 C ATOM 414 O GLY A 178 1.685 -3.178 -10.097 1.00 0.00 O ATOM 0 H GLY A 178 5.502 -2.546 -8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.965 -1.613 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 178 4.221 -2.958 -10.546 1.00 0.00 H new ATOM 418 N ASP A 179 2.335 -3.671 -8.000 1.00 0.00 N ATOM 419 CA ASP A 179 1.033 -4.182 -7.606 1.00 0.00 C ATOM 420 C ASP A 179 0.109 -3.043 -7.175 1.00 0.00 C ATOM 421 O ASP A 179 0.449 -2.256 -6.290 1.00 0.00 O ATOM 422 CB ASP A 179 1.186 -5.213 -6.480 1.00 0.00 C ATOM 423 CG ASP A 179 1.205 -4.587 -5.096 1.00 0.00 C ATOM 424 OD1 ASP A 179 2.237 -3.990 -4.729 1.00 0.00 O ATOM 425 OD2 ASP A 179 0.187 -4.699 -4.383 1.00 0.00 O ATOM 0 H ASP A 179 3.041 -3.702 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 179 0.580 -4.673 -8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 179 0.366 -5.929 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 179 2.109 -5.773 -6.631 1.00 0.00 H new ATOM 430 N VAL A 180 -1.059 -2.961 -7.803 1.00 0.00 N ATOM 431 CA VAL A 180 -2.026 -1.921 -7.479 1.00 0.00 C ATOM 432 C VAL A 180 -2.721 -2.219 -6.156 1.00 0.00 C ATOM 433 O VAL A 180 -3.376 -3.253 -6.009 1.00 0.00 O ATOM 434 CB VAL A 180 -3.088 -1.771 -8.583 1.00 0.00 C ATOM 435 CG1 VAL A 180 -3.890 -0.494 -8.381 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.439 -1.785 -9.958 1.00 0.00 C ATOM 0 H VAL A 180 -1.358 -3.602 -8.538 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.471 -0.986 -7.397 1.00 0.00 H new ATOM 0 HB VAL A 180 -3.770 -2.619 -8.520 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.636 -0.404 -9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.389 -0.527 -7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.220 0.365 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.207 -1.678 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.732 -0.959 -10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -1.912 -2.728 -10.102 1.00 0.00 H new ATOM 446 N ILE A 181 -2.571 -1.316 -5.192 1.00 0.00 N ATOM 447 CA ILE A 181 -3.182 -1.492 -3.880 1.00 0.00 C ATOM 448 C ILE A 181 -4.151 -0.361 -3.556 1.00 0.00 C ATOM 449 O ILE A 181 -4.036 0.744 -4.088 1.00 0.00 O ATOM 450 CB ILE A 181 -2.113 -1.566 -2.772 1.00 0.00 C ATOM 451 CG1 ILE A 181 -1.055 -2.615 -3.119 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.757 -1.881 -1.429 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.355 -2.186 -2.777 1.00 0.00 C ATOM 0 H ILE A 181 -2.032 -0.456 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.732 -2.432 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.624 -0.594 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -1.284 -3.539 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -1.110 -2.837 -4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.987 -1.929 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.474 -1.100 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -3.272 -2.840 -1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.053 -2.978 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.603 -1.278 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.427 -1.992 -1.707 1.00 0.00 H new ATOM 465 N THR A 182 -5.101 -0.643 -2.671 1.00 0.00 N ATOM 466 CA THR A 182 -6.090 0.347 -2.261 1.00 0.00 C ATOM 467 C THR A 182 -5.750 0.896 -0.879 1.00 0.00 C ATOM 468 O THR A 182 -5.953 0.225 0.134 1.00 0.00 O ATOM 469 CB THR A 182 -7.488 -0.273 -2.248 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.645 -1.182 -3.322 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.597 0.753 -2.350 1.00 0.00 C ATOM 0 H THR A 182 -5.207 -1.553 -2.222 1.00 0.00 H new ATOM 0 HA THR A 182 -6.075 1.168 -2.978 1.00 0.00 H new ATOM 0 HB THR A 182 -7.570 -0.781 -1.287 1.00 0.00 H new ATOM 0 HG1 THR A 182 -7.316 -2.065 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.563 0.248 -2.335 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.535 1.441 -1.507 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.493 1.310 -3.281 1.00 0.00 H new ATOM 479 N LEU A 183 -5.227 2.115 -0.845 1.00 0.00 N ATOM 480 CA LEU A 183 -4.848 2.755 0.414 1.00 0.00 C ATOM 481 C LEU A 183 -5.977 2.690 1.439 1.00 0.00 C ATOM 482 O LEU A 183 -7.093 3.136 1.178 1.00 0.00 O ATOM 483 CB LEU A 183 -4.458 4.212 0.170 1.00 0.00 C ATOM 484 CG LEU A 183 -3.833 4.923 1.371 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.540 4.240 1.789 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.585 6.387 1.048 1.00 0.00 C ATOM 0 H LEU A 183 -5.054 2.683 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 183 -3.993 2.211 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.755 4.250 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.346 4.764 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.531 4.866 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.113 4.762 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.747 3.205 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.832 4.262 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.140 6.880 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.907 6.462 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.530 6.870 0.802 1.00 0.00 H new ATOM 498 N ILE A 184 -5.671 2.139 2.609 1.00 0.00 N ATOM 499 CA ILE A 184 -6.650 2.025 3.682 1.00 0.00 C ATOM 500 C ILE A 184 -6.621 3.267 4.567 1.00 0.00 C ATOM 501 O ILE A 184 -7.659 3.744 5.022 1.00 0.00 O ATOM 502 CB ILE A 184 -6.391 0.782 4.559 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.292 -0.477 3.699 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.487 0.627 5.604 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.575 -1.619 4.387 1.00 0.00 C ATOM 0 H ILE A 184 -4.750 1.764 2.838 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.629 1.926 3.212 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.440 0.921 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.296 -0.801 3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.771 -0.236 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.287 -0.255 6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.509 1.511 6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.450 0.514 5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.540 -2.481 3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.559 -1.313 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.108 -1.887 5.299 1.00 0.00 H new ATOM 517 N ASN A 185 -5.418 3.783 4.805 1.00 0.00 N ATOM 518 CA ASN A 185 -5.241 4.971 5.633 1.00 0.00 C ATOM 519 C ASN A 185 -3.768 5.362 5.712 1.00 0.00 C ATOM 520 O ASN A 185 -2.899 4.650 5.211 1.00 0.00 O ATOM 521 CB ASN A 185 -5.793 4.727 7.040 1.00 0.00 C ATOM 522 CG ASN A 185 -5.376 3.383 7.603 1.00 0.00 C ATOM 523 OD1 ASN A 185 -6.194 2.476 7.744 1.00 0.00 O ATOM 524 ND2 ASN A 185 -4.096 3.252 7.929 1.00 0.00 N ATOM 0 H ASN A 185 -4.550 3.396 4.435 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.793 5.790 5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -5.447 5.519 7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -6.881 4.785 7.015 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -3.755 2.371 8.314 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -3.453 4.032 7.794 1.00 0.00 H new ATOM 531 N LYS A 186 -3.496 6.499 6.345 1.00 0.00 N ATOM 532 CA LYS A 186 -2.129 6.986 6.490 1.00 0.00 C ATOM 533 C LYS A 186 -1.805 7.263 7.955 1.00 0.00 C ATOM 534 O LYS A 186 -1.476 8.389 8.329 1.00 0.00 O ATOM 535 CB LYS A 186 -1.926 8.256 5.662 1.00 0.00 C ATOM 536 CG LYS A 186 -1.717 7.990 4.181 1.00 0.00 C ATOM 537 CD LYS A 186 -1.656 9.284 3.386 1.00 0.00 C ATOM 538 CE LYS A 186 -3.016 9.959 3.314 1.00 0.00 C ATOM 539 NZ LYS A 186 -3.063 11.004 2.256 1.00 0.00 N ATOM 0 H LYS A 186 -4.204 7.100 6.766 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.453 6.212 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -2.794 8.904 5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.064 8.799 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.793 7.430 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.529 7.368 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -0.937 9.961 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.298 9.076 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -3.783 9.210 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -3.249 10.409 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -4.007 11.440 2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -2.349 11.733 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -2.866 10.571 1.331 1.00 0.00 H new ATOM 553 N ASP A 187 -1.901 6.227 8.781 1.00 0.00 N ATOM 554 CA ASP A 187 -1.617 6.360 10.206 1.00 0.00 C ATOM 555 C ASP A 187 -0.177 6.807 10.441 1.00 0.00 C ATOM 556 O ASP A 187 0.154 7.319 11.511 1.00 0.00 O ATOM 557 CB ASP A 187 -1.875 5.033 10.923 1.00 0.00 C ATOM 558 CG ASP A 187 -3.309 4.897 11.390 1.00 0.00 C ATOM 559 OD1 ASP A 187 -4.186 4.617 10.546 1.00 0.00 O ATOM 560 OD2 ASP A 187 -3.559 5.070 12.603 1.00 0.00 O ATOM 0 H ASP A 187 -2.173 5.288 8.490 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.282 7.122 10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.635 4.208 10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.207 4.951 11.781 1.00 0.00 H new ATOM 565 N ASP A 188 0.676 6.614 9.439 1.00 0.00 N ATOM 566 CA ASP A 188 2.077 7.003 9.544 1.00 0.00 C ATOM 567 C ASP A 188 2.552 7.678 8.259 1.00 0.00 C ATOM 568 O ASP A 188 2.482 7.090 7.181 1.00 0.00 O ATOM 569 CB ASP A 188 2.944 5.778 9.839 1.00 0.00 C ATOM 570 CG ASP A 188 4.400 6.137 10.055 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.667 7.167 10.709 1.00 0.00 O ATOM 572 OD2 ASP A 188 5.276 5.389 9.570 1.00 0.00 O ATOM 0 H ASP A 188 0.421 6.191 8.547 1.00 0.00 H new ATOM 0 HA ASP A 188 2.172 7.715 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.562 5.272 10.726 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.866 5.073 9.011 1.00 0.00 H new ATOM 577 N PRO A 189 3.047 8.927 8.351 1.00 0.00 N ATOM 578 CA PRO A 189 3.528 9.676 7.187 1.00 0.00 C ATOM 579 C PRO A 189 4.398 8.835 6.258 1.00 0.00 C ATOM 580 O PRO A 189 4.466 9.090 5.056 1.00 0.00 O ATOM 581 CB PRO A 189 4.349 10.799 7.817 1.00 0.00 C ATOM 582 CG PRO A 189 3.695 11.045 9.132 1.00 0.00 C ATOM 583 CD PRO A 189 3.174 9.711 9.598 1.00 0.00 C ATOM 0 HA PRO A 189 2.707 10.020 6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.392 10.507 7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 189 4.340 11.694 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 189 4.405 11.458 9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 189 2.884 11.767 9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.860 9.237 10.300 1.00 0.00 H new ATOM 0 HD3 PRO A 189 2.215 9.811 10.107 1.00 0.00 H new ATOM 591 N ASN A 190 5.070 7.833 6.821 1.00 0.00 N ATOM 592 CA ASN A 190 5.936 6.962 6.034 1.00 0.00 C ATOM 593 C ASN A 190 5.269 5.622 5.759 1.00 0.00 C ATOM 594 O ASN A 190 5.323 5.107 4.640 1.00 0.00 O ATOM 595 CB ASN A 190 7.261 6.733 6.761 1.00 0.00 C ATOM 596 CG ASN A 190 8.250 7.852 6.520 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.536 8.650 7.412 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.779 7.915 5.303 1.00 0.00 N ATOM 0 H ASN A 190 5.031 7.606 7.815 1.00 0.00 H new ATOM 0 HA ASN A 190 6.125 7.457 5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 190 7.074 6.640 7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.696 5.790 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.452 8.647 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.512 7.231 4.595 1.00 0.00 H new ATOM 605 N TRP A 191 4.651 5.058 6.784 1.00 0.00 N ATOM 606 CA TRP A 191 3.983 3.769 6.658 1.00 0.00 C ATOM 607 C TRP A 191 2.499 3.945 6.363 1.00 0.00 C ATOM 608 O TRP A 191 1.731 4.393 7.215 1.00 0.00 O ATOM 609 CB TRP A 191 4.173 2.950 7.935 1.00 0.00 C ATOM 610 CG TRP A 191 5.478 2.216 7.972 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.723 2.764 8.092 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.668 0.800 7.887 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.675 1.776 8.085 1.00 0.00 N ATOM 614 CE2 TRP A 191 7.055 0.560 7.961 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.804 -0.292 7.755 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.593 -0.723 7.908 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.340 -1.564 7.702 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.723 -1.771 7.779 1.00 0.00 C ATOM 0 H TRP A 191 4.597 5.472 7.715 1.00 0.00 H new ATOM 0 HA TRP A 191 4.433 3.235 5.821 1.00 0.00 H new ATOM 0 HB2 TRP A 191 4.111 3.613 8.798 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.357 2.233 8.025 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.928 3.821 8.180 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.682 1.923 8.160 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.736 -0.143 7.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.659 -0.885 7.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.681 -2.414 7.599 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.111 -2.778 7.736 1.00 0.00 H new ATOM 629 N TRP A 192 2.102 3.592 5.144 1.00 0.00 N ATOM 630 CA TRP A 192 0.713 3.709 4.725 1.00 0.00 C ATOM 631 C TRP A 192 0.042 2.342 4.665 1.00 0.00 C ATOM 632 O TRP A 192 0.654 1.356 4.255 1.00 0.00 O ATOM 633 CB TRP A 192 0.630 4.382 3.351 1.00 0.00 C ATOM 634 CG TRP A 192 0.983 5.838 3.372 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.508 6.541 4.417 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.841 6.768 2.292 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.701 7.851 4.054 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.299 8.015 2.754 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.371 6.666 0.980 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.302 9.151 1.949 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.374 7.795 0.182 1.00 0.00 C ATOM 642 CH2 TRP A 192 0.836 9.024 0.669 1.00 0.00 C ATOM 0 H TRP A 192 2.727 3.221 4.428 1.00 0.00 H new ATOM 0 HA TRP A 192 0.191 4.320 5.461 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.298 3.865 2.662 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.381 4.268 2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.738 6.127 5.388 1.00 0.00 H new ATOM 0 HE1 TRP A 192 2.082 8.583 4.654 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.012 5.722 0.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.660 10.099 2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.014 7.728 -0.834 1.00 0.00 H new ATOM 0 HH2 TRP A 192 0.824 9.888 0.022 1.00 0.00 H new ATOM 653 N GLU A 193 -1.222 2.292 5.068 1.00 0.00 N ATOM 654 CA GLU A 193 -1.980 1.049 5.051 1.00 0.00 C ATOM 655 C GLU A 193 -2.685 0.884 3.709 1.00 0.00 C ATOM 656 O GLU A 193 -3.142 1.862 3.119 1.00 0.00 O ATOM 657 CB GLU A 193 -3.002 1.035 6.190 1.00 0.00 C ATOM 658 CG GLU A 193 -3.533 -0.352 6.519 1.00 0.00 C ATOM 659 CD GLU A 193 -3.283 -0.747 7.961 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.254 0.153 8.827 1.00 0.00 O ATOM 661 OE2 GLU A 193 -3.120 -1.956 8.226 1.00 0.00 O ATOM 0 H GLU A 193 -1.743 3.099 5.411 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.291 0.216 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.543 1.460 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.839 1.681 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.604 -0.384 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.063 -1.082 5.860 1.00 0.00 H new ATOM 668 N GLY A 194 -2.766 -0.350 3.221 1.00 0.00 N ATOM 669 CA GLY A 194 -3.411 -0.591 1.945 1.00 0.00 C ATOM 670 C GLY A 194 -4.102 -1.939 1.872 1.00 0.00 C ATOM 671 O GLY A 194 -3.779 -2.853 2.630 1.00 0.00 O ATOM 0 H GLY A 194 -2.399 -1.182 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.142 0.196 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.667 -0.527 1.151 1.00 0.00 H new ATOM 675 N GLN A 195 -5.058 -2.055 0.957 1.00 0.00 N ATOM 676 CA GLN A 195 -5.805 -3.295 0.779 1.00 0.00 C ATOM 677 C GLN A 195 -5.581 -3.879 -0.609 1.00 0.00 C ATOM 678 O GLN A 195 -6.314 -3.574 -1.548 1.00 0.00 O ATOM 679 CB GLN A 195 -7.293 -3.048 0.997 1.00 0.00 C ATOM 680 CG GLN A 195 -8.084 -4.312 1.297 1.00 0.00 C ATOM 681 CD GLN A 195 -9.425 -4.340 0.590 1.00 0.00 C ATOM 682 OE1 GLN A 195 -10.464 -4.079 1.197 1.00 0.00 O ATOM 683 NE2 GLN A 195 -9.409 -4.657 -0.699 1.00 0.00 N ATOM 0 H GLN A 195 -5.335 -1.303 0.325 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.443 -4.012 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.419 -2.347 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.708 -2.573 0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -7.500 -5.182 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -8.242 -4.391 2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -8.524 -4.866 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -10.281 -4.692 -1.227 1.00 0.00 H new ATOM 692 N LEU A 196 -4.562 -4.727 -0.733 1.00 0.00 N ATOM 693 CA LEU A 196 -4.252 -5.355 -2.010 1.00 0.00 C ATOM 694 C LEU A 196 -5.324 -6.371 -2.382 1.00 0.00 C ATOM 695 O LEU A 196 -5.193 -7.561 -2.093 1.00 0.00 O ATOM 696 CB LEU A 196 -2.882 -6.034 -1.952 1.00 0.00 C ATOM 697 CG LEU A 196 -2.176 -6.181 -3.302 1.00 0.00 C ATOM 698 CD1 LEU A 196 -0.859 -6.924 -3.138 1.00 0.00 C ATOM 699 CD2 LEU A 196 -3.075 -6.898 -4.296 1.00 0.00 C ATOM 0 H LEU A 196 -3.942 -4.992 0.032 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.228 -4.579 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.238 -5.463 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.002 -7.024 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 196 -1.961 -5.185 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -0.372 -7.019 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.211 -6.370 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -1.050 -7.916 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.558 -6.994 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.321 -7.889 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -3.992 -6.325 -4.436 1.00 0.00 H new ATOM 711 N ASN A 197 -6.388 -5.891 -3.023 1.00 0.00 N ATOM 712 CA ASN A 197 -7.496 -6.749 -3.439 1.00 0.00 C ATOM 713 C ASN A 197 -8.402 -7.087 -2.261 1.00 0.00 C ATOM 714 O ASN A 197 -9.594 -6.778 -2.273 1.00 0.00 O ATOM 715 CB ASN A 197 -6.975 -8.037 -4.083 1.00 0.00 C ATOM 716 CG ASN A 197 -7.857 -8.509 -5.223 1.00 0.00 C ATOM 717 OD1 ASN A 197 -8.882 -7.899 -5.524 1.00 0.00 O ATOM 718 ND2 ASN A 197 -7.460 -9.604 -5.863 1.00 0.00 N ATOM 0 H ASN A 197 -6.506 -4.908 -3.267 1.00 0.00 H new ATOM 0 HA ASN A 197 -8.079 -6.198 -4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -5.963 -7.872 -4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -6.913 -8.819 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -8.013 -9.970 -6.638 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -6.603 -10.078 -5.579 1.00 0.00 H new ATOM 725 N ASN A 198 -7.832 -7.724 -1.244 1.00 0.00 N ATOM 726 CA ASN A 198 -8.596 -8.106 -0.060 1.00 0.00 C ATOM 727 C ASN A 198 -7.743 -8.037 1.204 1.00 0.00 C ATOM 728 O ASN A 198 -8.214 -7.613 2.259 1.00 0.00 O ATOM 729 CB ASN A 198 -9.162 -9.517 -0.230 1.00 0.00 C ATOM 730 CG ASN A 198 -9.920 -9.684 -1.531 1.00 0.00 C ATOM 731 OD1 ASN A 198 -9.322 -9.835 -2.597 1.00 0.00 O ATOM 732 ND2 ASN A 198 -11.246 -9.659 -1.453 1.00 0.00 N ATOM 0 H ASN A 198 -6.847 -7.986 -1.215 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.417 -7.397 0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -8.346 -10.239 -0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -9.825 -9.742 0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -11.809 -9.767 -2.297 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -11.701 -9.532 -0.549 1.00 0.00 H new ATOM 739 N ARG A 199 -6.489 -8.464 1.092 1.00 0.00 N ATOM 740 CA ARG A 199 -5.577 -8.460 2.226 1.00 0.00 C ATOM 741 C ARG A 199 -5.196 -7.037 2.627 1.00 0.00 C ATOM 742 O ARG A 199 -4.881 -6.203 1.777 1.00 0.00 O ATOM 743 CB ARG A 199 -4.321 -9.260 1.887 1.00 0.00 C ATOM 744 CG ARG A 199 -3.553 -8.711 0.696 1.00 0.00 C ATOM 745 CD ARG A 199 -2.393 -9.618 0.314 1.00 0.00 C ATOM 746 NE ARG A 199 -2.230 -9.717 -1.134 1.00 0.00 N ATOM 747 CZ ARG A 199 -3.130 -10.269 -1.946 1.00 0.00 C ATOM 748 NH1 ARG A 199 -4.256 -10.768 -1.457 1.00 0.00 N ATOM 749 NH2 ARG A 199 -2.901 -10.317 -3.252 1.00 0.00 N ATOM 0 H ARG A 199 -6.083 -8.817 0.226 1.00 0.00 H new ATOM 0 HA ARG A 199 -6.086 -8.924 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -3.664 -9.275 2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -4.602 -10.293 1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -4.227 -8.603 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -3.176 -7.716 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -1.473 -9.236 0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -2.558 -10.612 0.729 1.00 0.00 H new ATOM 0 HE ARG A 199 -1.377 -9.341 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -4.437 -10.731 -0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -4.942 -11.189 -2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -2.037 -9.932 -3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -3.589 -10.739 -3.875 1.00 0.00 H new ATOM 763 N ARG A 200 -5.225 -6.770 3.929 1.00 0.00 N ATOM 764 CA ARG A 200 -4.882 -5.456 4.454 1.00 0.00 C ATOM 765 C ARG A 200 -3.523 -5.493 5.148 1.00 0.00 C ATOM 766 O ARG A 200 -3.059 -6.555 5.559 1.00 0.00 O ATOM 767 CB ARG A 200 -5.956 -4.988 5.438 1.00 0.00 C ATOM 768 CG ARG A 200 -7.117 -4.266 4.777 1.00 0.00 C ATOM 769 CD ARG A 200 -8.396 -5.087 4.839 1.00 0.00 C ATOM 770 NE ARG A 200 -8.984 -5.084 6.177 1.00 0.00 N ATOM 771 CZ ARG A 200 -9.702 -4.077 6.669 1.00 0.00 C ATOM 772 NH1 ARG A 200 -9.924 -2.991 5.938 1.00 0.00 N ATOM 773 NH2 ARG A 200 -10.202 -4.156 7.895 1.00 0.00 N ATOM 0 H ARG A 200 -5.484 -7.452 4.642 1.00 0.00 H new ATOM 0 HA ARG A 200 -4.829 -4.755 3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.339 -5.852 5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.499 -4.326 6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.276 -3.306 5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -6.870 -4.055 3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -9.117 -4.689 4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.183 -6.113 4.539 1.00 0.00 H new ATOM 0 HE ARG A 200 -8.835 -5.902 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -9.544 -2.925 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -10.475 -2.223 6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -10.036 -4.988 8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -10.752 -3.384 8.272 1.00 0.00 H new ATOM 787 N GLY A 201 -2.886 -4.332 5.272 1.00 0.00 N ATOM 788 CA GLY A 201 -1.586 -4.275 5.916 1.00 0.00 C ATOM 789 C GLY A 201 -0.925 -2.917 5.787 1.00 0.00 C ATOM 790 O GLY A 201 -1.306 -2.111 4.939 1.00 0.00 O ATOM 0 H GLY A 201 -3.244 -3.436 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.698 -4.521 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.936 -5.033 5.479 1.00 0.00 H new ATOM 794 N ILE A 202 0.078 -2.664 6.625 1.00 0.00 N ATOM 795 CA ILE A 202 0.800 -1.398 6.589 1.00 0.00 C ATOM 796 C ILE A 202 2.170 -1.576 5.949 1.00 0.00 C ATOM 797 O ILE A 202 2.756 -2.657 6.003 1.00 0.00 O ATOM 798 CB ILE A 202 0.978 -0.802 7.999 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.688 -1.799 8.919 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.370 -0.402 8.579 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.765 -1.169 9.773 1.00 0.00 C ATOM 0 H ILE A 202 0.407 -3.318 7.335 1.00 0.00 H new ATOM 0 HA ILE A 202 0.202 -0.710 5.992 1.00 0.00 H new ATOM 0 HB ILE A 202 1.598 0.091 7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.951 -2.271 9.568 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.132 -2.589 8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.228 0.017 9.575 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.836 0.343 7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -1.013 -1.280 8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.226 -1.933 10.400 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.523 -0.721 9.131 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.324 -0.399 10.405 1.00 0.00 H new ATOM 813 N PHE A 203 2.677 -0.512 5.338 1.00 0.00 N ATOM 814 CA PHE A 203 3.978 -0.563 4.682 1.00 0.00 C ATOM 815 C PHE A 203 4.471 0.839 4.329 1.00 0.00 C ATOM 816 O PHE A 203 3.678 1.773 4.218 1.00 0.00 O ATOM 817 CB PHE A 203 3.888 -1.411 3.411 1.00 0.00 C ATOM 818 CG PHE A 203 3.059 -0.776 2.329 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.559 0.277 1.580 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.775 -1.227 2.068 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.797 0.866 0.590 1.00 0.00 C ATOM 822 CE2 PHE A 203 1.008 -0.642 1.078 1.00 0.00 C ATOM 823 CZ PHE A 203 1.519 0.406 0.339 1.00 0.00 C ATOM 0 H PHE A 203 2.210 0.393 5.283 1.00 0.00 H new ATOM 0 HA PHE A 203 4.689 -1.014 5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.894 -1.590 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.464 -2.383 3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.557 0.642 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.369 -2.045 2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.200 1.685 0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 203 0.010 -1.005 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.921 0.865 -0.434 1.00 0.00 H new ATOM 833 N PRO A 204 5.789 0.998 4.127 1.00 0.00 N ATOM 834 CA PRO A 204 6.376 2.291 3.766 1.00 0.00 C ATOM 835 C PRO A 204 5.891 2.752 2.396 1.00 0.00 C ATOM 836 O PRO A 204 6.268 2.183 1.372 1.00 0.00 O ATOM 837 CB PRO A 204 7.887 2.016 3.735 1.00 0.00 C ATOM 838 CG PRO A 204 8.069 0.718 4.448 1.00 0.00 C ATOM 839 CD PRO A 204 6.806 -0.060 4.218 1.00 0.00 C ATOM 0 HA PRO A 204 6.101 3.080 4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.254 1.956 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.442 2.815 4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.935 0.179 4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.241 0.878 5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.856 -0.653 3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.601 -0.750 5.036 1.00 0.00 H new ATOM 847 N SER A 205 5.046 3.779 2.382 1.00 0.00 N ATOM 848 CA SER A 205 4.504 4.301 1.133 1.00 0.00 C ATOM 849 C SER A 205 5.615 4.639 0.144 1.00 0.00 C ATOM 850 O SER A 205 5.398 4.649 -1.067 1.00 0.00 O ATOM 851 CB SER A 205 3.648 5.534 1.403 1.00 0.00 C ATOM 852 OG SER A 205 4.197 6.322 2.445 1.00 0.00 O ATOM 0 H SER A 205 4.723 4.264 3.219 1.00 0.00 H new ATOM 0 HA SER A 205 3.882 3.525 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.570 6.131 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.637 5.226 1.670 1.00 0.00 H new ATOM 0 HG SER A 205 3.476 6.649 3.022 1.00 0.00 H new ATOM 858 N ASN A 206 6.812 4.901 0.663 1.00 0.00 N ATOM 859 CA ASN A 206 7.952 5.222 -0.186 1.00 0.00 C ATOM 860 C ASN A 206 8.227 4.085 -1.172 1.00 0.00 C ATOM 861 O ASN A 206 8.888 4.281 -2.192 1.00 0.00 O ATOM 862 CB ASN A 206 9.189 5.489 0.668 1.00 0.00 C ATOM 863 CG ASN A 206 9.716 6.895 0.509 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.164 7.701 -0.241 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.791 7.195 1.218 1.00 0.00 N ATOM 0 H ASN A 206 7.015 4.897 1.662 1.00 0.00 H new ATOM 0 HA ASN A 206 7.715 6.122 -0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 206 8.947 5.313 1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 206 9.971 4.780 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.198 8.128 1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.213 6.493 1.826 1.00 0.00 H new ATOM 872 N TYR A 207 7.715 2.895 -0.857 1.00 0.00 N ATOM 873 CA TYR A 207 7.901 1.729 -1.710 1.00 0.00 C ATOM 874 C TYR A 207 6.771 1.595 -2.727 1.00 0.00 C ATOM 875 O TYR A 207 6.606 0.543 -3.344 1.00 0.00 O ATOM 876 CB TYR A 207 7.965 0.465 -0.851 1.00 0.00 C ATOM 877 CG TYR A 207 9.365 -0.069 -0.655 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.429 0.790 -0.408 1.00 0.00 C ATOM 879 CD2 TYR A 207 9.623 -1.433 -0.716 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.710 0.307 -0.227 1.00 0.00 C ATOM 881 CE2 TYR A 207 10.903 -1.924 -0.536 1.00 0.00 C ATOM 882 CZ TYR A 207 11.942 -1.052 -0.292 1.00 0.00 C ATOM 883 OH TYR A 207 13.216 -1.539 -0.113 1.00 0.00 O ATOM 0 H TYR A 207 7.168 2.717 -0.015 1.00 0.00 H new ATOM 0 HA TYR A 207 8.837 1.858 -2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.527 0.677 0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.352 -0.309 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 207 10.251 1.854 -0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 207 8.812 -2.120 -0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.526 0.989 -0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.088 -2.987 -0.586 1.00 0.00 H new ATOM 0 HH TYR A 207 13.206 -2.516 -0.189 1.00 0.00 H new ATOM 893 N VAL A 208 5.986 2.654 -2.894 1.00 0.00 N ATOM 894 CA VAL A 208 4.872 2.628 -3.834 1.00 0.00 C ATOM 895 C VAL A 208 4.606 4.016 -4.417 1.00 0.00 C ATOM 896 O VAL A 208 5.429 4.923 -4.286 1.00 0.00 O ATOM 897 CB VAL A 208 3.588 2.088 -3.158 1.00 0.00 C ATOM 898 CG1 VAL A 208 3.913 0.924 -2.233 1.00 0.00 C ATOM 899 CG2 VAL A 208 2.880 3.186 -2.383 1.00 0.00 C ATOM 0 H VAL A 208 6.099 3.536 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 208 5.150 1.958 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 208 2.922 1.734 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 208 2.996 0.561 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.372 0.120 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.604 1.257 -1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 208 1.981 2.781 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.545 3.574 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 208 2.605 3.992 -3.063 1.00 0.00 H new ATOM 909 N ALA A 209 3.453 4.173 -5.060 1.00 0.00 N ATOM 910 CA ALA A 209 3.076 5.449 -5.662 1.00 0.00 C ATOM 911 C ALA A 209 1.683 5.367 -6.286 1.00 0.00 C ATOM 912 O ALA A 209 1.419 4.497 -7.115 1.00 0.00 O ATOM 913 CB ALA A 209 4.101 5.861 -6.710 1.00 0.00 C ATOM 0 H ALA A 209 2.762 3.432 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 209 3.053 6.204 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 209 3.808 6.814 -7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.080 5.964 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.150 5.101 -7.489 1.00 0.00 H new ATOM 919 N PRO A 210 0.765 6.273 -5.898 1.00 0.00 N ATOM 920 CA PRO A 210 -0.604 6.292 -6.425 1.00 0.00 C ATOM 921 C PRO A 210 -0.657 6.077 -7.936 1.00 0.00 C ATOM 922 O PRO A 210 0.049 6.742 -8.693 1.00 0.00 O ATOM 923 CB PRO A 210 -1.090 7.692 -6.060 1.00 0.00 C ATOM 924 CG PRO A 210 -0.369 8.008 -4.794 1.00 0.00 C ATOM 925 CD PRO A 210 0.984 7.354 -4.912 1.00 0.00 C ATOM 0 HA PRO A 210 -1.215 5.488 -6.013 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.855 8.413 -6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -2.171 7.715 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -0.271 9.085 -4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -0.913 7.627 -3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 210 1.742 8.060 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 210 1.323 6.960 -3.954 1.00 0.00 H new ATOM 933 N TYR A 211 -1.496 5.140 -8.365 1.00 0.00 N ATOM 934 CA TYR A 211 -1.638 4.832 -9.781 1.00 0.00 C ATOM 935 C TYR A 211 -3.114 4.800 -10.189 1.00 0.00 C ATOM 936 O TYR A 211 -3.646 5.789 -10.692 1.00 0.00 O ATOM 937 CB TYR A 211 -0.953 3.491 -10.093 1.00 0.00 C ATOM 938 CG TYR A 211 -1.500 2.783 -11.316 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.731 3.476 -12.498 1.00 0.00 C ATOM 940 CD2 TYR A 211 -1.789 1.426 -11.283 1.00 0.00 C ATOM 941 CE1 TYR A 211 -2.233 2.834 -13.612 1.00 0.00 C ATOM 942 CE2 TYR A 211 -2.291 0.776 -12.393 1.00 0.00 C ATOM 943 CZ TYR A 211 -2.513 1.485 -13.555 1.00 0.00 C ATOM 944 OH TYR A 211 -3.013 0.842 -14.664 1.00 0.00 O ATOM 0 H TYR A 211 -2.088 4.581 -7.751 1.00 0.00 H new ATOM 0 HA TYR A 211 -1.153 5.617 -10.361 1.00 0.00 H new ATOM 0 HB2 TYR A 211 0.114 3.665 -10.235 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -1.057 2.834 -9.230 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -1.514 4.533 -12.546 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -1.618 0.869 -10.374 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -2.406 3.386 -14.524 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -2.508 -0.281 -12.352 1.00 0.00 H new ATOM 0 HH TYR A 211 -3.154 -0.105 -14.457 1.00 0.00 H new ATOM 954 N ASN A 212 -3.766 3.658 -9.970 1.00 0.00 N ATOM 955 CA ASN A 212 -5.174 3.497 -10.320 1.00 0.00 C ATOM 956 C ASN A 212 -5.642 2.069 -10.047 1.00 0.00 C ATOM 957 O ASN A 212 -5.332 1.150 -10.804 1.00 0.00 O ATOM 958 CB ASN A 212 -5.404 3.837 -11.795 1.00 0.00 C ATOM 959 CG ASN A 212 -6.714 4.563 -12.024 1.00 0.00 C ATOM 960 OD1 ASN A 212 -6.753 5.792 -12.100 1.00 0.00 O ATOM 961 ND2 ASN A 212 -7.798 3.806 -12.137 1.00 0.00 N ATOM 0 H ASN A 212 -3.340 2.831 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 212 -5.752 4.183 -9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -4.582 4.455 -12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -5.393 2.919 -12.382 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -8.708 4.239 -12.293 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -7.721 2.791 -12.068 1.00 0.00 H new ATOM 968 N SER A 213 -6.390 1.894 -8.965 1.00 0.00 N ATOM 969 CA SER A 213 -6.903 0.581 -8.593 1.00 0.00 C ATOM 970 C SER A 213 -8.321 0.383 -9.118 1.00 0.00 C ATOM 971 O SER A 213 -8.724 -0.735 -9.443 1.00 0.00 O ATOM 972 CB SER A 213 -6.883 0.413 -7.073 1.00 0.00 C ATOM 973 OG SER A 213 -5.664 0.882 -6.522 1.00 0.00 O ATOM 0 H SER A 213 -6.655 2.646 -8.329 1.00 0.00 H new ATOM 0 HA SER A 213 -6.258 -0.174 -9.043 1.00 0.00 H new ATOM 0 HB2 SER A 213 -7.718 0.959 -6.633 1.00 0.00 H new ATOM 0 HB3 SER A 213 -7.020 -0.638 -6.819 1.00 0.00 H new ATOM 0 HG SER A 213 -5.591 0.587 -5.590 1.00 0.00 H new ATOM 979 N ASN A 214 -9.074 1.475 -9.199 1.00 0.00 N ATOM 980 CA ASN A 214 -10.450 1.422 -9.685 1.00 0.00 C ATOM 981 C ASN A 214 -10.483 1.244 -11.200 1.00 0.00 C ATOM 982 O ASN A 214 -9.445 1.493 -11.848 1.00 0.00 O ATOM 983 CB ASN A 214 -11.201 2.695 -9.293 1.00 0.00 C ATOM 984 CG ASN A 214 -11.888 2.568 -7.947 1.00 0.00 C ATOM 985 OD1 ASN A 214 -13.022 3.013 -7.772 1.00 0.00 O ATOM 986 ND2 ASN A 214 -11.203 1.958 -6.988 1.00 0.00 N ATOM 987 OXT ASN A 214 -11.548 0.855 -11.724 1.00 0.00 O ATOM 0 H ASN A 214 -8.756 2.407 -8.935 1.00 0.00 H new ATOM 0 HA ASN A 214 -10.940 0.564 -9.224 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -10.503 3.532 -9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -11.944 2.926 -10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -11.614 1.843 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -10.265 1.604 -7.177 1.00 0.00 H new TER 994 ASN A 214